메토미데이트염화물

Methyl 3-(1-phenylethyl)imidazole-4-carboxylate;hydrochloride

HCID 118264CAS 2852-42-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1cncn1C(C)c1ccccc1.Cl
InChIKey: NZEDTZKNEKPBGR-UHFFFAOYSA-N
분자식: C13H15ClN2O2
평균 분자량: 266.72 g/mol
단동위원소 질량: 266.0822054

개요

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이름 및 식별자

우선 이름: Methyl 3-(1-phenylethyl)imidazole-4-carboxylate;hydrochloride
IUPAC: methyl 3-(1-phenylethyl)imidazole-4-carboxylate;hydrochloride
현지명: 메토미데이트염화물
영어명: Metomidate Hydrochloride
분자식: C13H14N2O2.ClH
분자량: 266.727

이름 및 동의어

methyl 3-(1-phenylethyl)imidazole-4-carboxylate;hydrochlorideRefChem:814756956-634-1Metomidate hydrochloride35944-74-2methyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate hydrochlorideDTXSID00457072852-42-836557-22-9SKV88232PJMFCD01721715NSC-168403

이름 더 보기

메토미데이트염화물Nsc168403Etomidate EP impurity BHCI(±)-Metomidate (hydrochloride)Metomidate Hydrochloride (1 mg/mL in Methanol)1H-Imidazole-4-carboxylicacid,1-(10-bromophenyl)-1-(1-phenylethyl)-1H-Imidazole-5-carboxylic acid methyl ester hydrochloride (1:1)1H-Imidazole-5-carboxylic acid,1-(1-phenylethyl)-,methyl ester,hydrochloride(1:1)1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, methyl ester, monohydrochlorideMetomidate Hydrochloride (50 mg) (methyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate hydrochloride)

Hypnodil hydrochlorideDTXCID8025707Metomidat-hydrochlorideMethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate xhydrochlorideCAS-35944-74-2NCGC00073457-03EINECS 253-104-5NSC 168403

데이터베이스 식별자

CAS: 2852-42-8、35944-74-2、36557-22-9
PubChem CID: 118264
DTXSID: DTXSID0045707
ChEMBL: CHEMBL1506761
UNII: SKV88232PJ
EC Number: 253-104-5、956-634-1

물성

구조 계산 물성

극성 표면적: 44.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 18
형식 전하: 0
복잡도: 264

물리화학적 성질

녹는점: 173 · 173-174 °C
저장 조건: Sealed in dry,Room Temperature
용해도: 아세톤(약간), 클로로포름(약간), 메탄올(약간)에 용해됨
물리적 상태: 고체
색상: 흰색에서 황백색까지
주요 응용: 의약품(소분자)
InChI: InChI=1S/C13H14N2O2.ClH/c1-10(11-6-4-3-5-7-11)15-9-14-8-12(15)13(16)17-2;/h3-10H,1-2H3;1H
InChIKey: NZEDTZKNEKPBGR-UHFFFAOYSA-N
SMILES: N1(C=NC=C1C(=O)OC)C(C)C1=CC=CC=C1.Cl

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

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

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: WGK 3
HS 번호: 2933290000
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

응용 분야 · 2건

용도Metomidate Hydrochloride is used as an anesthetic for veterinary use.

용도Metomidate hydrochloride is an imidazole-based, nonbarbiturate hypnotic drug primarily used as an immersion sedation and anesthetic agent in freshwater and marine finfish. Adding sedatives, such as metomidate hydrochloride, to shipping water may improve fish survival rates and the percentage of fish in saleable condition.

공급사27 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

艾吉析科技（上海）有限公司17717235263 · [email protected]

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]

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