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옥세타자인

Oxethazaine

HCID 4621
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
126-27-2
표준 SMILES
CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc1ccccc1
InChIKey
FTLDJPRFCGDUFH-UHFFFAOYSA-N
분자식
C28H41N3O3
평균 분자량
467.6 g/mol
단동위원소 질량
467.31479218

개요

Oxethazaine is a white powder. (NTP, 1992)

이름 및 식별자

우선 이름
Oxethazaine
IUPAC
2-[2-hydroxyethyl-[2-[methyl-(2-methyl-1-phenylpropan-2-yl)amino]-2-oxoethyl]amino]-N-methyl-N-(2-methyl-1-phenylpropan-2-yl)acetamide
현지명
옥세타자인
영어명
Oxethazaine
분자식
C28H41N3O3
분자량
467.64

이름 및 동의어

Oxethazaine126-27-2OxetacaineOxethacaineOxaineMuthesaStrocainOxetacainaoxethazineOxetacainumWy-806WY 806
이름 더 보기
옥세타자인fh099C12552mutesatepiltamucainemucoxin
DTXSID0025818Acetamide, 2,2'-((2-hydroxyethyl)imino)bis(N-(1,1-dimethyl-2-phenylethyl)-N-methyl-FH 099NSC-758444IP8QT76V17Acetamide, 2,2'-[(2-hydroxyethyl)imino]bis[N-(1,1-dimethyl-2-phenylethyl)-N-methyl-DTXCID6058182-Di(N-methyl-N-phenyl-tert-butyl-carbamoylmethyl)aminoethanol

데이터베이스 식별자

CAS
126-27-2
PubChem CID
4621
DTXSID
DTXSID0025818
ChEMBL
CHEMBL127592
ChEBI
CHEBI:31947
UNII
IP8QT76V17
EC Number
204-780-5
Nikkaji
J2.510K

물성

구조 계산 물성

XLogP
3.8
극성 표면적
64.1 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
4
회전 가능 결합 수
12
무거운 원자 수
34
형식 전하
0
복잡도
585

실험 및 물리화학적 성질

Drugs · 2건

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals

Solubility · 2건

less than 1 mg/mL at 73 °F (NTP, 1992)

<0.1 g/100 ml at 23 ºC

Human DrugsPharmaceuticals
Melting Point · 2건

219 to 220 °F (NTP, 1992)

100-101 ºC

Physical DescriptionOxethazaine is a white powder. (NTP, 1992)
Dissociation Constants6.25
Collision Cross Section · 2건

215.22 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

213.7 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

물리화학적 성질

녹는점
104 · 104-105°C
끓는 점
570.1 °C · 570.1°C (rough estimate)
밀도
1.0974 · 1.0974 (rough estimate)

안전 및 규제

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

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Other Safety InformationIMAP assessments - Acetamide, 2,2'-[(2-hydroxyethyl)imino]bis[N-(1,1-dimethyl-2-phenylethyl)-N-methyl]-: Environment tier I assessment
Fire HazardsFlash point data are not available for this chemical, but it is probably combustible. (NTP, 1992)
Reactive GroupAlcohols and Polyols
Reactivity Profile · 1건

A hydroxylated amide. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).

Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 및 보호

Fire FightingFires involving this compound should be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)

화학 및 산업

약리 정보

ATC Code · 2건

C - Cardiovascular system

QC - Cardiovascular system

Protein BindingDue to the low half-life, it is thought that oxetacaine, when absorbed, presents a very low protein plasma binding.
Pharmacodynamics · 1건

Oxetacaine improves common gastrointestinal symptoms. Oxetacaine is part of the anesthetic antacids which increase the gastric pH while providing relief from pain for a longer period of duration at a lower dosage. This property has been reported to relieve the symptoms of hyperacidity. Oxetacaine is reported to produce a reversible loss of sensation and to provide a prompt and prolonged relief of pain. In vitro, oxetacaine was showed to produce an antispasmodic action on the smooth muscle and block the action of serotonin. The local efficacy of oxetacaine has been proven to be 2000 times more potent than lignocaine and 500 times more potent than cocaine. Its anesthetic action produces the loss of sensation which can be explained by its inhibitory activity against the nerve impulses and de decrease in permeability of the cell membrane.

Mechanism of Action · 1건

Oxetacaine inhibits gastric acid secretion by suppressing gastrin secretion. Moreover, oxetacaine exerts a local anesthetic effect on the gastric mucosa. This potent local anesthetic effect of oxetacaine may be explained by its unique chemical characteristics in which, as a weak base, it is relatively non-ionized in acidic solutions whereas its hydrochloride salt is soluble in organic solvents and it can penetrate cell membranes. Oxetacaine diminishes the conduction of sensory nerve impulses near the application site which in order reduces the permeability of the cell membrane to sodium ions. This activity is performed by the incorporation of the unionized form into the cell membrane.

Biological Half-LifeOxetacaine presents a very short half-life of approximately one hour.
Metabolism/Metabolites · 1건

Oxetacaine is rapidly and extensively metabolized hepatically. After metabolism, there is a formation of primary metabolites such as beta-hydroxy-mephentermine and beta-hydroxy-phentermine. The major metabolites are found in the plasma in insignificant amounts.

관련 반응

0건
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화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
굴절률
1.78 · 1.7800 (estimate)
저장 조건
Refrigerator
용해도
물에 거의 녹지 않습니다. 메탄올에 잘 용해되며; 에틸 아세테이트에 용해됩니다.
산도 계수 (pKa)
14.62 · 14.62±0.10(Predicted)
물리적 상태
Solid
색상
흰색에서 황백색까지
수용성
23 · 23&C에서 <0.1g/100mL
주요 응용
법의학 및 독성학의약품(소분자)수의사
InChI
1S/C28H41N3O3/c1-27(2,19-23-13-9-7-10-14-23)29(5)25(33)21-31(17-18-32)22-26(34)30(6)28(3,4)20-24-15-11-8-12-16-24/h7-16,32H,17-22H2,1-6H3
InChIKey
FTLDJPRFCGDUFH-UHFFFAOYSA-N
SMILES
CN(C(=O)CN(CCO)CC(=O)N(C)C(C)(C)Cc1ccccc1)C(C)(C)Cc2ccccc2
EPA
Oxethazaine (126-27-2)

화학적 성질

White Solid

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. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1건

SMALL SPILLS AND LEAKAGE: You should dampen the solid spill material with acetone, then transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the adsorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a strong soap and water solution. Do not reenter the contaminate 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)

안전 데이터

wgk
3
rtecs
AC3325000
독성
LD50 oral in rat: 1gm/kg
risk_code
22
hazard_code
Xn
safety_code
36
기존화학 물질
KE-20520
Hazard Classifications
Acute Tox. 4 Oral
스토리지 클래스
11 - Combustible Solids
MeSH Pharmacological Classification · 1건

Drugs that block nerve conduction when applied locally to nerve tissue in appropriate concentrations. They act on any part of the nervous system and on every type of nerve fiber. In contact with a nerve trunk, these anesthetics can cause both sensory and motor paralysis in the innervated area. Their action is completely reversible. (From Gilman AG, et. al., Goodman and Gilman&apos;s The Pharmacological Basis of Therapeutics, 8th ed) Nearly all local anesthetics act by reducing the tendency of voltage-dependent sodium channels to activate.

Absorption, Distribution and Excretion · 4건

A peak plasma concentration of oxetacaine of approximately 20 ng/ml is attained about one hour after oral administration. LEss than 1/3 of the administered dose is absorbed as it undergoes extensive metabolism.

Less than 0.1% of the amdinistered dose is recovered in urine within 24 hours in the form of unchanged oxetacaine or its metabolites.

This pharmacokinetic property has not been studied.

This pharmacokinetic property has not been studied.

용도 및 제조

UsesUse (kg; approx.) in Germany (2009): >50
Use ClassificationPharmaceuticals

응용 분야

용도A potent local anesthetic that is active even in acidic conditions. It is used (usually in combination with an antacid) for the relief of pain associated with peptic ulcer disease or esophagitis.

일반 설명White powder.

상·하류 제품 정보

상류 원료

에탄올아민

공급사54 곳

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