홈MCP워크벤치Skills
홈워크벤치알림마이페이지
Huagongshe 오픈 프로젝트:[email protected]AI 접속: llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.7.8
  1. 홈
  2. /화합물

말레인산클로로페니라민

Chlorpheniramine Maleate

HCID 5281068
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
113-92-8
표준 SMILES
CN(C)CCC(c1ccc(Cl)cc1)c1ccccn1.O=C(O)/C=C\C(=O)O
InChIKey
DBAKFASWICGISY-BTJKTKAUSA-N
분자식
C16H19ClN2.C4H4O4
평균 분자량
390.9 g/mol
단동위원소 질량
390.1346349

개요

Chlorpheniramine maleate appears as odorless white crystalline solid or white powder with a bitter taste. pH (2% aqueous solution) 5. pH (1% aqueous solution) 4-5. (NTP, 1992)

이름 및 식별자

우선 이름
Chlorpheniramine Maleate
IUPAC
(Z)-but-2-enedioic acid;3-(4-chlorophenyl)-N,N-dimethyl-3-pyridin-2-ylpropan-1-amine
현지명
말레인산클로로페니라민
영어명
Chlorphenamine maleate
분자식
C16H19ClN2.C4H4O4
분자량
390.86

이름 및 동의어

Chlorpheniramine maleate113-92-8NeorestaminSynistaminAllerclorAntagonateKlorominAllerginIbiotonLorphenPyridamalPhenetron
이름 더 보기
말레인산클로로페니라민클로르페닐아민말산클로르페닐아민말산chlorphenamineCHLORPHENIRAMINE BASECHLORTRIMETONCHLOROPHENIRAMINE MALEATEPuerminpiritonteldrinHistadur
PiriexC-MetonHistadur dura-tabsChlorphenamine hydrogen maleatePyridamal 100Pyridamal-100ChlormeneAlunex

데이터베이스 식별자

CAS
113-92-8、2438-32-6
PubChem CID
5281068
ChEMBL
CHEMBL1659
ChEBI
CHEBI:3645
UNII
V1Q0O9OJ9Z
EC Number
204-037-5

물성

구조 계산 물성

극성 표면적
90.7 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
6
회전 가능 결합 수
7
무거운 원자 수
27
형식 전하
0
복잡도
368

실험 및 물리화학적 성질

Solubility10 to 50 mg/mL at 70 °F (NTP, 1992)
Human Drugs · 3건

Breast Feeding; Lactation; Milk, Human; Antihistamines; Antipruritics

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Animal DrugsPharmaceuticals -> UK Veterinary Medicines Directorate List
Melting Point266 to 275 °F (NTP, 1992)
Physical DescriptionChlorpheniramine maleate appears as odorless white crystalline solid or white powder with a bitter taste. pH (2% aqueous solution) 5. pH (1% aqueous solution) 4-5. (NTP, 1992)

물리화학적 성질

녹는점
130 · 130-135 °C (lit.)
밀도
1.1984 · 1.1984 (rough estimate)
굴절률
1.68 · 1.6800 (estimate)
인화점
9 ℃ · 9℃
저장 조건
2 · 2-8°C
용해도
물에 잘 녹고, 에탄올에 녹습니다(96%).
물리적 상태
Solid
산도 계수 (pKa)
9.47 · 9.47
색상
흰색에서 거의 흰색
수소이온지수(pH)
4 · 4.0~5.5 (10g/l, 25℃)
냄새
냄새 없는
수용성
21 · 21&C에서 1~5g/100mL
Merck
14 · 14,2180
BCS Class
3 · 3/1
InChI
1S/C16H19ClN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
InChIKey
DBAKFASWICGISY-BTJKTKAUSA-N
SMILES
CN(C)CCC(C1=CC=C(Cl)C=C1)C2=NC=CC=C2.O=C(/C=C\C(O)=O)O
LogP
3.389 · 3.389 (est)
EPA
Chlorpheniramine maleate (113-92-8)

화학적 성질

White Solid

안전 및 규제

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

GHS 분류

GHS Classification · 6건

This chemical does not meet GHS hazard criteria for 0.8% (2 of 241) of reports.

Danger

H301 (87.6%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 241 reports by companies from 19 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

유해성 정보

Regulatory InformationChlorpheniramine maleate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2-Pyridinepropanamine, .gamma.-(4-chlorophenyl)-N,N-dimethyl-, (Z)-2-butenedioate (1:1): Environment tier I assessment
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. (NTP, 1992)
Health Hazards · 1건

SYMPTOMS: Symptoms of exposure to this compound may include drowsiness, dizziness, sleeplessness, nervousness and excitability. Other symptoms may include sensitivity reactions, dry mouth, weakness, anorexia, nausea, vomiting headache, hypotension, polyuria, heartburn, diplopia, dysuria, blurred vision and dermatitis. Exposure to large amounts may lead to hallucinations, convulsions or death, especially in infants and children. There has been one report of left-sided blepharospasm and dyskinesia on the left side of the face. Other symptoms may include central nervous system depression, local anesthesia, skin sensitization, dryness of the nose and throat, abdominal pain and diarrhea. A dulling of mental alertness may also occur.

Reactive GroupHydrocarbons, Aliphatic Unsaturated
Reactivity Profile · 1건

An acidic salt of an organic amine. Materials in this group are generally soluble in water, though some also may react with water. The resulting solutions contain moderate concentrations of hydrogen ions and have pHs of less than 7.0. Compounds in this group react as weak acids to neutralize bases. These neutralizations generate heat, but less than is generated by neutralization of inorganic acids, inorganic oxoacids, or carboxylic acids. Many of these compounds catalyze organic reactions.

Air and Water ReactionsWater soluble.
Hazard Classes and Categories · 2건

Acute Tox. 3 (87.6%)

Acute toxicity (Oral) - Category 4

안전 및 보호

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1건

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. If symptoms (such as redness or irritation) develop, immediately transport the victim to a hospital.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: If you spill this chemical, you should dampen the solid spill material with water, then transfer the dampened material to a suitable container. Use absorbent paper dampened with water to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Wash all contaminated surfaces with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1건

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

독성 정보

Health EffectsChlorpheniramine posesses serotonergic and norepinephrinergic effects. It has been shown to work as a serotonin-norepinephrine reuptake inhibitor or SNRI. [Wikipedia]
Exposure RoutesWell absorbed in the gastrointestinal tract.
Toxicity SummaryChlorpheniramine binds to the histamine H1 receptor. This blocks the action of endogenous histamine, which subsequently leads to temporary relief of the negative symptoms brought on by histamine.
Carcinogen Classification · 6건

Chlorpheniramine Maleate

TR-317: Toxicology and Carcinogenesis Studies of Chlorpheniramine Maleate (CASRN 113-92-8) in F344/N Rats and B6C3F1 Mice (Gavage Studies) (1986 )

12/09/85

No Evidence

No Evidence

No Evidence

Drug Induced Liver Injury · 6건

Drug Induced Liver Injury Rank (DILIrank 2.0)

Chlorpheniramine maleate

vNo-DILI-concern

0

No match

DOI:10.1016/j.drudis.2016.02.015

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation
Toxicity DataOral LD50 (rat): 306 mg/kg Oral LD50 (mice): 130 mg/kg Oral LD50 (guinea pig): 198 mg/kg LD50: 306 mg/kg (Human) (A308)

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
US6504000
ridadr
UN 2811 6.1/PG 3
독성
LD50 orally in mice: 162 mg/kg (Smith)
HS 번호
29333990
risk_code
25-39/23/24/25-23/24/25-11
hazard_code
T,F
safety_code
36/37/39-45-36/37-16
포장분류
III
위험 등급
6.1(b)
기존화학 물질
KE-05616
Hazard Classifications
Acute Tox. 4 Oral
스토리지 클래스
11 - Combustible Solids

화학 및 산업

약리 정보

Metabolism/MetabolitesPrimarily hepatic via Cytochrome P450 (CYP450) enzymes. Half Life: 21-27 hours
FDA Pharmacological Classification · 4건

CHLORPHENIRAMINE MALEATE

Histamine-1 Receptor Antagonist [EPC]; Histamine H1 Receptor Antagonists [MoA]

CHLORPHENIRAMINE MALEATE 4MG

Histamine-1 Receptor Antagonist [EPC]; Histamine H1 Receptor Antagonists [MoA]

MeSH Pharmacological Classification · 3건

Agents, usually topical, that relieve itching (pruritus).

Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood.

Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475)

용도 및 제조

UsesUsed used in the prevention of the symptoms of allergic conditions such as rhinitis, urticaria, allergy, common cold, asthma and hay fever.
General Manufacturing Information2-Pyridinepropanamine, .gamma.-(4-chlorophenyl)-N,N-dimethyl-, (2Z)-2-butenedioate (1:1): ACTIVE
응용 분야 · 3건

개요Chlorpheniramine is a histamine H1 receptor antagonist with an IC75 value of 0.0016 μg/ml for reversal of histamine-induced spasms in isolated guinea pig ileum. It protects against intravenous histamine-induced death (PD50 = 0.15 mg/kg) and delays induction of aerosolized histamine-induced coughing (ED100sec = 0.44 mg/kg) in guinea pigs. Chlorpheniramine (20 mg/kg, i.p.) prevents histamine-induced passive cutaneous anaphylaxis (PCA) in rabbits. It also reduces respiratory resistance and hypersecretion of tracheobronchial fluid in a dog model of histamine-induced asthma. Formulations containing chlorpheniramine have been used in the treatment of seasonal allergies.

용도(±)-Chlorpheniramine maleate salt has been used:as H1 receptor antagonist to determine the receptor functionto block the effect of compound 48/80 on plasma IGF-Ias a standard for fast sensing and determination by sequential injector coupled with potentiometer

일반 설명Odorless white crystalline solid or white powder with a bitter taste. pH (2% aqueous solution) 5. pH (1% aqueous solution) 4-5.

상·하류 제품 정보

상류 원료

말레인산α-피콜린브로모아세트알데히드디에틸아세탈2-(4-Chlorobenzyl)pyridineAnhydrous toluene클로로페니라민-d4

공급사100 곳

国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
湖北常奥药业有限公司027-87058617 13419515565
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]
Jai Radhe Sales+(91)-(79)-26431096/65255722 · [email protected]
江苏荣硕药业有限公司0000-15105138935 15105138935 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
阿法埃莎(中国)化学有限公司400-6106006 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
合肥天健化工有限公司551-65418679 15856988503;15837135945 · [email protected]
武汉泽诺生物科技有限公司027-87781970 15172508891 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
斯百全化学(上海)有限公司021-021-021-67601398-809-809-809 15221380277 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
深圳菲斯生物科技有限公司0755-83725681-603
AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
随州市红旗化工有限公司0722-3257376 13026100080;13235518175 · [email protected]
南京杜莱生物技术有限公司025-84699383-8003;025-846993838003-8003 18013301590 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
深圳市石金谷科技有限公司(0086)755-61930359 (0086)18038192047 · [email protected]
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]
湖北省扬一鑫盛生物医药有限公司15927387803 15927387803 · [email protected]
Cato Research Chemicals Inc.020-81960175 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
上海创赛科技有限公司400-6087598 15021221957 · [email protected]
潍坊鲁泽新材料有限公司0536-7971999 13583611556 · [email protected]
山东君泰药业有限公司15006412179 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海乾劲化工科技有限公司021-20900665 17321230821 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]

관련 반응

5건
반응 기록 만들기
HRID 388180 반응식
HRID 388180반응물로uspto-grants-2013_02
HRID 1194278 반응식
HRID 1194278반응물로uspto-grants-1989_03
HRID 1708996 반응식
HRID 1708996생성물로반응물로uspto-grants-1990_08
HRID 1710296 반응식
HRID 1710296반응물로uspto-grants-2010_09
HRID 1741557 반응식
HRID 1741557반응물로uspto-grants-1994_08

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트