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펜타나트륨 펜텐산

Pentasodium Pentetate

HCID 8779
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
140-01-2
표준 SMILES
O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+]
InChIKey
LQPLDXQVILYOOL-UHFFFAOYSA-I
분자식
C14H18N3Na5O10
평균 분자량
503.26 g/mol
단동위원소 질량
503.0480652

이름 및 식별자

우선 이름
Pentasodium Pentetate
IUPAC
pentasodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
현지명
펜타나트륨 펜텐산
영어명
Pentasodium DTPA
분자식
C14H24N3NaO10
분자량
417.35

이름 및 동의어

140-01-2Pentasodium DTPAPENTASODIUM PENTETATEPentasodium diethylenetriaminepentaacetateTetralon BVersenex 80Plexene DSyntron CDiethylenetriaminepentaacetic acid pentasodium saltTrilon CHamp-ex 80Perma kleer 140
이름 더 보기
펜타나트륨펜텐산다이에틸렌트라이아민펜타아세트산,펜타소듐염펜타소듐펜테테이트펜타나트륨펜텐산글라이신, N,N-비스[2-[비스(카복시메틸)아미노]에틸]-, 소듐 염 (1:5)글라이신, N,N-비스[2-[비스(카복시메틸)아미노]에틸]-, 펜타소듐 염글라이신, N,N-비스[2-[비스(카복시메틸)아미노]에틸]펜타소듐 염다이에틸렌트라이아민 펜타아세트산, 펜타소듐 염다이에틸렌트라이아민펜타아세테이트, 펜타소듐다이에틸렌트라이아민펜타아세트산, 펜타소듐 염펜타소듐 (카복실레이토메틸)이미노비스(에틸렌나이트릴로)테트라아세테이트펜타소듐 2-[비스[2-[비스(2-옥사이도-2-옥소에틸)아미노]에틸]아미노]아세테이트펜타소듐 다이에틸렌트라이아민 펜타아세테이트펜타소듐 다이에틸렌트라이아민 펜타아세트산pentasodiumpentetateplexenedsyntroncDPTA-5NaDTPA Na5detarexpykiresutop
Detarex pyKiresuto PChelest PDtpa pentasodium saltClewat DP 80Caswell No. 642BChel 330HSDB 5629

데이터베이스 식별자

CAS
140-01-2
PubChem CID
8779
DTXSID
DTXSID9027077
UNII
961TOZ5L7T
EC Number
205-391-3
Nikkaji
J122.456E

물성

구조 계산 물성

극성 표면적
210 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
13
회전 가능 결합 수
11
무거운 원자 수
32
형식 전하
0
복잡도
454

실험 및 물리화학적 성질

Chemical ClassesOther Uses -> Chelating Agents
Cosmetics · 2건

Cosmetic ingredients (Sodium Pentetate) -> CIR (Cosmetic Ingredient Review)

Chelating

Food Contact Substances · 2건

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

Physical Description · 2건

Dry Powder; Liquid

Aqueous solution: Pale yellow liquid; [MSDSonline]

Other Experimental Properties · 2건

White crystalline solid. MP 230 °C (decomposes). Slightly soluble in cold water; insoluble in hot water. /Diethylenetriamine pentaacetic acid/

MW: 393.35 /Diethylenetriamine pentaacetic acid/

물리화학적 성질

녹는점
-40 °C · -40 °C
끓는 점
106 °C · 106 °C
밀도
1.29 · 1.29
굴절률
1.4185 · 1.4185-1.4205
물리적 상태
액체
색상
투명한
수용성
녹는

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

Danger

H332: Harmful if inhaled [Warning Acute toxicity, inhalation]

P203, P260, P261, P271, P280, P304+P340, P317, P318, P319, P405, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for 2.8% (27 of 973) of reports.

Danger

H315 (17.7%): Causes skin irritation [Warning Skin corrosion/irritation]

유해성 정보

Regulatory Information · 5건

Chemical: Glycine, N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-, pentasodium salt

Hazard Traits - Reproductive Toxicity

Glycine, N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-, sodium salt (1:5) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Glycine, N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-, sodium salt (1:5) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

REACH registered substance: Pentasodium (carboxylatomethyl)iminobis(ethylenenitrilo)tetraacetate (EC: 205-391-3)

Pentasodium pentetate: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - Glycine, N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-, pentasodium salt: Human health tier I assessment
Hazards Summary · 1건

Emergency treatment: Symptomatic drug parenteral exposure; [HSDB] Not irritating to rabbit skin or eyes; Not sensitizing in guinea pig maximization test; No evidence of mutagenicity; Teratogenic effects in rats at doses maternally toxic; [IUCLID] No information available on effects to reproduction or lactation; [REPROTOX] Irritating to eyes; [Fisher MSDS]

FDA RequirementsPentasodium diethylenetriaminepentaacetate is an indirect food additive for use only as a component of adhesives.

화학 및 산업

약리 정보

Metabolism/MetabolitesCa-DTPA undergoes a minimal amount of metabolic change in the body. /Ca-DTPA/
Absorption, Distribution and Excretion · 4건

Ca-DTPA is poorly absorbed in the GI tract. In animal studies, after oral administration, absorption was approximately 5%. In a U.S. Registry of 18 patients who received a single inhaled or intravenous dose of 1 gram, urine data indicate that the inhaled product was absorbed and resulted in a comparable elimination of the radiocontaminant. One study of 2 human subjects that received Ca-DTPA with (14)C-DTPA by inhalation revealed approximately 20% absorption from the lungs. /Ca-DTPA/

Following intravenous administration, Ca-DTPA is rapidly distributed throughout the extracellular fluid space. No significant amount of Ca-DTPA penetrates into erythrocytes or other cells. No accumulation of Ca-DTPA in specific organs has been observed. There is little or no binding of the chelating agent by the renal parenchyma. /Ca-DTPA/

Ca-DTPA is cleared from the plasma in the first few hours after dosing through urinary excretion by glomerular filtration. Renal tubular excretion has not been documented. In stool samples tested, only a very small amount of radioactivity (<3%) was detected.

Plasma retention and urinary excretion data were obtained in 2 subjects that received 750 kBq of (14)C-DTPA. The radiolabeled DTPA was rapidly distributed throughout the extracellular fluid space and was cleared by glomerular filtration. The plasma retention up to 7 hours post dosing was expressed by the sum of three exponential components with average half lives of 1.4 min, 14.5 min, and 94.4 min. The level of activity in the plasma was below the limit of detection 24 hours after injection. During the study, no detectable activity was exhaled or excreted in the feces. By 24 hours, cumulative urinary excretion was more than 99% of the injected dose. /DTPA/

용도 및 제조

Uses · 6건

CIR ingredient: Sodium Pentetate

Used as a chelating agent and in cosmetics, food additives, adhesives, and in paper and paperboard production; [HSDB] Used in agricultural, photographic, oil field, metal refining, and textile processing industries; Also used in household, industrial, and institutional cleaners; [IUCLID]

관련 반응

7건
반응 기록 만들기
HRID 83937 반응식
HRID 83937반응물로uspto-grants-2014_09
HRID 653553 반응식
HRID 653553반응물로uspto-grants-1987_06
HRID 727472 반응식
HRID 727472반응물로uspto-grants-1998_01
HRID 727475 반응식
HRID 727475반응물로uspto-grants-1998_01
HRID 727477 반응식
HRID 727477반응물로uspto-grants-1998_01
HRID 727478 반응식
HRID 727478반응물로uspto-grants-1998_01
HRID 992579 반응식
HRID 992579생성물로uspto-grants-2002_10

화합물 노트

불러오는 중…

이 페이지에서기본 정보이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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화장품 원료 기능
킬레이팅
InChI
InChI=1S/C14H23N3O10.Na.H/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;
InChIKey
JDNBXCRAWIIWJD-UHFFFAOYSA-N
SMILES
N(CC(=O)O)(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O.[NaH]
LogP
-2 at · -2 at 25℃
EPA
Pentasodium diethylenetriaminepentaacetate (140-01-2)

화학적 성질

clear light yellow solution

Special Reports · 1건

REAC/TS is a valuable resource in the use of drug therapies to treat radiation incident victims. Personnel maintain a repository of all clinical information and provide data to practitioners worldwide on calcium and zinc diethylenetriaminepentaacetic acid (DTPA) and Prussian Blue.[Radiation Emergency Assistance Center/Training Site (REAC/TS); Medical Countermeasures. Available from, as of August 16, 2006: http://orise.orau.gov/reacts/med-countermeasures.htm]

Hazard Classes and Categories · 4건

Skin Irrit. 2 (17.7%)

Acute toxicity (inhalation) - category 4

Acute toxicity (Inhalation: Dusts and mists) - Category 4

Repr. 1B

안전 및 보호

Storage ConditionsStore between 15 - 30 °C (59 -86 °F). /Ca-DTPA/
Disposal Methods · 1건

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

독성 정보

Ecotoxicity ValuesLC50; Species: Lepomis macrochirus (Bluegill); Concentration: 1115 mg/L for 96 hr at 22 °C (95% confidence limit 1005-1250 mg/L) /Conditions of bioassay not specified in source examined/
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Ecotoxicity Excerpts · 2건

/AQUATIC SPECIES/ When bluegill of avg wt 0.74 g and avg length 34 mm were exposed to versenex 80 (40% ai) for 96 hr at 22 °C, the LC50 was 1115 mg/L (95% confidence limit 1005-1250 mg/L).

/AQUATIC SPECIES/ Addition of pentasodium pentetate after exposure of carp to 0.01, 0.05, or 0.1 ppm cadmium produced decreases in mortality. Complexan-metal groups generally exhibited striking increase with concentration of metal in each part of fish in comparison with the metal alone.

Human Toxicity Excerpts · 4건

/SIGNS AND SYMPTOMS/ ...Pentasodium pentetate is nonirritating to moderately irritating, but not a sensitizer in clinical tests. A human comedogenicity (acne promotion) test using pentasodium pentetate found no effect ...Overall, these data were considered sufficient to support the safety of pentesodium pentetate ...as used in cosmetics.

/CASE REPORTS/ In previous clinical studies, three deaths were reported in patients with severe hemochromatosis who were treated with daily IM Ca-DTPA dosed up to 4 gram per day to reduce iron stores. One patient became comatose and died after receiving a total of 14 gram Ca-DTPA, and the other two died after two weeks of daily treatment. Causal association with these events and the drug has not been established. /Ca-DTPA/

/OTHER TOXICITY INFORMATION/ Comparative studies on the translocation and retention of intramuscularly (i.m.) injected thorium nitrate (234Th 46 ng + 232Th 5 microg per rat) in solutions of citrate, CaDTPA or citrate + CaDTPA in rats have been conducted. Results showed that only thorium in mixed-ligand solution was entirely translocated from the muscle, with the greatest part being excreted from the body. In this case, the whole-body retention of thorium decreased to 16% of the injected radioactivity within 2 d, 13% being retained in the skeleton. Studies on the decorporation of 234Th + 232Th nitrates from a rat wound simulated with i.m. injection have also been carried out. The greatest translocation of thorium and its excretion was achieved with a single local injection of the mixed-ligand (citrate + CaDTPA) solution when compared with those of citrate or CaDTPA alone. The efficiency of mixed-ligand treatment decreased with its delay. On day 2 post-therapy, the whole-body content of thorium decreased to 30, 37 and 55% of injected radioactivity when the local treatment started immediately, postponed to 1 h or 24 h, after i.m. injection of thorium, respectively. In control rats without treatment, there was only a slight decrease in the content of thorium in the whole body /CaDTPA/.

/OTHER TOXICITY INFORMATION/ Ca-DTPA forms stable chelates with metal ions by exchanging calcium for a metal of greater binding capacity. The radioactive chelates are then excreted by glomerular filtration into the urine. In animal studies, Ca-DTPA forms less stable chelates with uranium and neptunium in vivo resulting in the deposition of these elements in tissues including the bone. Ca-DTPA treatments are not expected to be effective for uranium and neptunium. Radioactive iodine is not bound by DTPA. /Ca-DTPA/

Non-Human Toxicity Excerpts · 5건

/LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ In a 4-week dermal toxicity study, daily topical application of 0.05% pentasodium pentetate to shaved and abraded rabbit skin produced moderate erythema after the first week and throughout the study, but no systemic toxicity. Pentasodium pentetate or pentapotassium pentetate applied to intact albino rabbit skin were not irritating. ...

/LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ ...Subchronic inhalation evaluation of a bath freshener containing 0.05% or 0.09% pentasodium pentetate using albino rats determined that there was no cumulative systemic toxicity attributable to the ingredient at either concentration.

/LABORATORY ANIMALS: Developmental or Reproductive Toxicity/ /Groups of 25 pregnant female Wistar rats were given Pentasodium pentetate by gavage at concentrations of 100, 400, 1000 mg/kg/day from day 6 to 15 of pregnancy./ ... In the highest dose group, maternal toxicity was observed. Maternal bw gain and feed intake was reduced. The weight of the uteri was reduced. ... Resorption and post implantative ovary egg cells loss slightly increased. Weight of embryos of progeny in this group was reduced. 15.4% of embryos/liter in the highest dose group showed deformations particularly skeletal deformations. The incidence of fetal deformations and fetal retardations was increased in the highest dose group. Significantly increased rate of fetuses with skeletal retardations were also observed (63.8% affected fetuses/liter vs. 47.8% affected fetuses/litter in the control group).

/LABORATORY ANIMALS: Developmental or Reproductive Toxicity/ In mice, Ca-DTPA has been shown to be teratogenic and embryocidal following five daily injections of 720-2880 umol Ca-DTPA/kg (2- 8 times the recommended daily human dose of 1 gram based on body surface area (BSA) adjusted dose) given during any period of gestation. The frequency of gross malformations (e.g., exencephaly, spina bifida, and cleft palate) increased with dose, with higher susceptibility in early and mid gestation. Five daily doses of 360 umol Ca-DTPA/kg in mice, approximately equivalent to the recommended daily human dose (based on BSA) produced no harmful effects. /Ca-DTPA/

For more Non-Human Toxicity Excerpts (Complete) data for PENTASODIUM PENTETATE (7 total), please visit the HSDB record page.

Populations at Special Risk · 2건

Multiple doses of Ca-DTPA could result in an increased risk for adverse reproductive outcomes and thus are not recommended during pregnancy. Therefore, treatment of pregnant women should begin and continue with Zn-DTPA, if available, except in cases of high internal radioactive contamination. In these cases, the risk of immediate and delayed radiation-induced toxicity to both the mother and the fetus should be considered in comparison to the risk of Ca-DTPA toxicity. Also, because Ca-DTPA is more effective than Zn-DTPA in the first 24 hours after internal contamination, it may be appropriate to use a single dose of Ca-DTPA with vitamin or mineral supplements that contain zinc as the initial treatment. /Ca-DTPA/

Nebulized chelation therapy may be associated with exacerbation of asthma. Caution should be exercised when administering Ca-DTPA by the inhalation route. /Ca-DTPA/

Probable Routes of Human Exposure · 2건

According to the 2006 TSCA Inventory Update Reporting data, the number of persons reasonably likely to be exposed in the industrial manufacturing, processing, and use of pentasodium pentetate is 1000 or greater; the data may be greatly underestimated(1).

NIOSH (NOES Survey 1981-1983) has statistically estimated that 39,005 workers (20,673 of these were female) were potentially exposed to pentasodium pentetate in the US(1).

Antidote and Emergency Treatment · 3건

/SRP:/ Immediate first aid: Ensure that adequate decontamination has been carried out. If patient is not breathing, start artificial respiration, preferably with a demand valve resuscitator, bag-valve-mask device, or pocket mask, as trained. Perform CPR if necessary. Immediately flush contaminated eyes with gently flowing water. Do not induce vomiting. If vomiting occurs, lean patient forward or place on the left side (head-down position, if possible) to maintain an open airway and prevent aspiration. Keep patient quiet and maintain normal body temperature. Obtain medical attention. /Poisons A and B/

/SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 mL/kg up to 200 mL of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/

/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in severe respiratory distress. Positive-pressure ventilation techniques with a bag valve mask device may be beneficial. Consider drug therapy for pulmonary edema ... . Consider administering a beta agonist such as albuterol for severe bronchospasm ... . Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start IV administration of D5W /SRP: "To keep open", minimal flow rate/. Use 0.9% saline (NS) or lactated Ringer's if signs of hypovolemia are present. For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam or lorazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poisons A and B/

Non-Human Toxicity Values · 2건

LD50 Mouse ip 585 mg/kg bw

LD50 Rat oral 4550 mg/kg bw

규제 정보

FDA RequirementsPentasodium diethylenetriaminepentaacetate is an indirect food additive for use only as a component of adhesives.

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
MB8205000
HS 번호
29420000
risk_code
36-20-63
hazard_code
Xi,Xn
safety_code
39-26-36/37
기존화학 물질
KE-10471
F 고인화성물질
3
Hazard Classifications
Acute Tox. 4 InhalationRepr. 1BSTOT RE 2 Inhalation
스토리지 클래스
6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
유해 물질 데이터
140-01-2(Hazardous Substances Data)

Petroleum Production and Refining [Category: Industry]

For pentasodium pentetate (USEPA/OPP Pesticide Code: 039120) there are 0 labels match. /SRP: Not registered for current use in the U.S., but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./

Chelating agents like the sodium salts of diethylenetriaminepentaacetic acid ... are used under mildly acidic conditions (pH 5-6) to accelerate the elimination of metals. This pH range allows the removal of transition metals with conservation of magnesium and calcium ions, which are of benefit as stabilizers in bleaching.

Ca-DTPA and Zn-DTPA effectively chelate several transuranium ions (plutonium, americium, berkelium, curium, and californium). Their clinical use has been primarily for treatment of internal contamination with plutonium and americium/ Ca-DTPA and Zn-DTPA/.

U.S. Production · 4건

2023: 10,000,000 - <50,000,000 lb

Glycine, N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-, pentasodium salt is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).[EPA/Office of Pollution Prevention and Toxics; High Production Volume (HPV) Challenge Program. Glycine, N,N-bis[2-

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#5470]

Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: Glycine, N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-, sodium salt. Aggregated National Production Volume: 100 to < 500 million pounds.[US EPA; Non-Confidential 2006 Inventory Update Reporting. National Chemical Information. Glycine, N,N-bis[2-

Consumer UsesIon exchange agent
Industry UsesAbsorbent
Formulations/PreparationsPentetate calcium trisodium injection contains the sodium salt of calcium diethylenetriaminepentaacetate. /Pentetate calcium trisodium/
Household ProductsInformation on 344 consumer products that contain Pentasodium pentetate in the following categories is provided:
Use ClassificationCosmetics -> Chelating
General Manufacturing Information · 4건

All Other Chemical Product and Preparation Manufacturing

Glycine, N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-, sodium salt (1:5): ACTIVE

Ca-DTPA is distributed by Oak Ridge Associated Universities (ORAU) under contract with the U.S. Department of Energy (DOE), Contract No. DE-AC05-06OR23100. ORAU manages the FDA Investigational New Drug (IND) authorizations for Ca-DTPA and the analogous Zn-DTPA for DOE.

CDC has included both Zn- and Ca-DTPA in the Strategic National Stockpile (SNS), a special collection of drugs and medical supplies that CDC keeps to treat people in an emergency.

응용 분야 · 2건

용도Diethylenetriamine-pentaacetic acid pentasodium salt solution may be used in a competitive indirect enzyme-linked immunoassay for the quantitative measurement of lead ions. It may be used in one-step immunochromatographic assay (ICA) for the fast detection of lead ions in water samples.

일반 설명Diethylenetriamine-pentaacetic acid pentasodium salt is an organic chelating agent.

상·하류 제품 정보

상류 원료

다이에틸렌트라이아민