(S)-Desethyl-etomidate

HCID 759853CAS 56649-49-1

기본 정보

표준 SMILES: C[C@@H](c1ccccc1)n1cncc1C(=O)O
InChIKey: RGYCCBLTSWHXIS-VIFPVBQESA-N
분자식: C12H12N2O2
평균 분자량: 216.24 g/mol
단동위원소 질량: 216.08987762

이름 및 식별자

우선 이름: (S)-Desethyl-etomidate
IUPAC: 3-[(1S)-1-phenylethyl]imidazole-4-carboxylic acid
영어명: (S)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic acid
분자식: C12H12N2O2
분자량: 216.24

이름 및 동의어

(S)-Desethyl-etomidate56649-49-1Desethyl-etomidate, (S)-UNII-NNC4DVY1A7NNC4DVY1A73-[(1S)-1-phenylethyl]imidazole-4-carboxylic acidS-Isomer Etomidate Acid1H-Imidazole-5-carboxylic acid, 1-((1S)-1-phenylethyl)-1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, (S)-(S)-Etomidate EP Impurity A(S)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic acidSCHEMBL11726722

이름 더 보기

Etomidate Acid S-IsomerEtomidate Impurity 6 HClEtomidate Impurity 16 HClEtomidateImpurity28-EtomidateAcid)Etomidate Impurity 28 ((S)-Etomidate Acid)1H-Imidazole-5-carboxylic acid, 1-[(1S)-1-phenylethyl]-

DTXSID80205218Q272849651-[(1S)-1-Phenylethyl]-1H-imidazole-5-carboxylic acid

데이터베이스 식별자

CAS: 56649-49-1
PubChem CID: 759853
DTXSID: DTXSID80205218
UNII: NNC4DVY1A7

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 16
형식 전하: 0
복잡도: 251

물리화학적 성질

녹는점: 153 · 153-154.5 °C
끓는 점: 437.5 · 437.5±20.0 °C(Predicted)
밀도: 1.21 · 1.21±0.1 g/cm3(Predicted)
산도 계수 (pKa): 2.29 · 2.29±0.36(Predicted)

화학 및 산업

응용 분야

용도S-Isomer Etomidate Acid is an isomer of Etomidate Acid(E933310) which is a metabolite and carboxylic acid analogue of the short-acting hypnotic drug, Etomidate(E933300).

공급사10 곳

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

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

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

深圳市洛克医药科技有限公司13128912434 · [email protected]

湖北扬信医药科技有限公司15347293736 · [email protected]

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