메틸(R)-1-(1-페닐에틸)-1H-이미다졸-5-카르복실레이트

Metomidate, (R)-

HCID 1129903CAS 61045-91-8

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: COC(=O)c1cncn1[C@H](C)c1ccccc1
InChIKey: FHFZEKYDSVTYLL-SNVBAGLBSA-N
분자식: C13H14N2O2
평균 분자량: 230.26 g/mol
단동위원소 질량: 230.10552769

이름 및 식별자

우선 이름: Metomidate, (R)-
IUPAC: methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
현지명: 메틸(R)-1-(1-페닐에틸)-1H-이미다졸-5-카르복실레이트
영어명: methyl (R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylate
분자식: C13H14N2O2
분자량: 230.26

이름 및 동의어

(R)-Metomidate61045-91-8(+)-METOMIDATEMetomidate, (R)-Metomidate, (+)-UNII-NUP88P9UDRNUP88P9UDRDTXSID602099311H-Imidazole-5-carboxylic acid, 1-((1R)-1-phenylethyl)-, methyl ester1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, methyl ester, (R)-RefChem:158384DTXCID10132422

이름 더 보기

메틸(R)-1-(1-페닐에틸)-1H-이미다졸-5-카르복실레이트Etomidate-2（R)-Etomidate EP Impurity BEtomidate Methyl Ester AnalogEtomidate Impurity 9 ((R)-Etomidate EP Impurity B)Methyl (R)-1-(1-Phenylethyl)-1H-imidazole-4-carboxylate1H-Imidazole-5-carboxylic acid, 1-[(1R)-1-phenylethyl]-, methyl ester(R)-Methyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate (Etomidate Impurity)

methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylatemethyl (R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylatemethyl 1-[(1r)-1-phenylethyl]-1h-imidazole-5-carboxylate(R)-methyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylateEtomidate EP Impurity B)-Etomidate EP Impurity BCHEMBL406437SCHEMBL4377172

데이터베이스 식별자

CAS: 61045-91-8
PubChem CID: 1129903
DTXSID: DTXSID60209931
ChEMBL: CHEMBL406437
UNII: NUP88P9UDR
Nikkaji: J239.447B

물성

구조 계산 물성

XLogP: 2.7
극성 표면적: 44.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 264

물리화학적 성질

끓는 점: 379.372 · 379.372±17.00 °C(Press: 760.00 Torr)(predicted)
밀도: 1.138 · 1.138±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
저장 조건: Refrigerator, Under inert atmosphere
용해도: 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 무색~담황색 오일~반고체
산도 계수 (pKa): 4.149 · 4.149±0.23(predicted)

화학 및 산업

응용 분야

용도Methyl (R)-1-(1-Phenylethyl)-1H-imidazole-4-carboxylate is used in the synthesis of Etomidate analogues which are selective inhibitors of steroid 11β-hydroxylation in the adrenal cortex.

공급사30 곳

上海策嵘生物科技有限公司[email protected]

济南百隆化学有限公司[email protected] · [email protected]

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

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

希瓦生物科技（广州）有限公司13268215580 · [email protected]

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