1-Methylethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate

HCID 201927CAS 792842-51-4

기본 정보

표준 SMILES: CC(C)OC(=O)c1cncn1C(C)c1ccccc1
InChIKey: SEKLTEXFLCQQIM-UHFFFAOYSA-N
분자식: C15H18N2O2
평균 분자량: 258.32 g/mol

이름 및 식별자

우선 이름: 1-Methylethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate
IUPAC: propan-2-yl 3-(1-phenylethyl)imidazole-4-carboxylate
영어명: Etomidate EP Impurity C
분자식: C15H18N2O2
분자량: 258.32

이름 및 동의어

792842-51-41-Methylethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate8XSU5C0VWZ1-Methylethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate, (RS)-1-Methylethyl 1-((1RS)-1-phenylethyl)-1H-imidazole-5-carboxylateRefChem:1055847Etomidate EP Impurity CUNII-8XSU5C0VWZEtomidate impurity C [EP]Isopropyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylateEtomidate specified impurity C [EP]Propan-2-yl 3-(1-phenylethyl)imidazole-4-carboxylate

이름 더 보기

Etomidate Isopropyl Impurity-CControlled Substance(Etomidate EP Impurity C)Etomidate Impurity 3 (Etomidate EP Impurity C)1-Methylethyl 1-[(1RS)-1-phenylethyl]-1H-imidazole-5-carboxylateIsopropyl 1-(1-Phenylethyl)-1H-imidazole-5-carboxylate (1mg/mL in DMSO)Etomidate EP Impurity CQ: What is Etomidate EP Impurity C Q: What is the CAS Number of Etomidate EP Impurity C Q: What is the storage condition of Etomidate EP Impurity C Q: What are the applications of Etomidate EP Impurity C

Isopropoxate1-(1-Phenylethyl)-1H-Imidazole-5-carboxylic Acid Methylethyl EsterDesethyl-isopropyl EtomidateSCHEMBL31406537SGB84251ETOMIDATE IMPURITY C [EP IMPURITY]Controlled Substance<br>(Etomidate EP Impurity C)Q272711671H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-, 1-methylethyl ester

데이터베이스 식별자

CAS: 792842-51-4
PubChem CID: 201927
UNII: 8XSU5C0VWZ

물성

구조 계산 물성

XLogP: 3.5
극성 표면적: 44.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 5
무거운 원자 수: 19
형식 전하: 0
복잡도: 301

물리화학적 성질

끓는 점: 397.7 · 397.7±17.0 °C(Predicted)
밀도: 1.1 · 1.10±0.1 g/cm3(Predicted)
저장 조건: 4 °C · 4°C
용해도: DMSO(약간 용해됨), 에틸아세테이트(약간 용해됨)
산도 계수 (pKa): 4.36 · 4.36±0.23(Predicted)
물리적 상태: 기름
색상: 연한 노란색에서 밝은 노란색까지

화학 및 산업

응용 분야

용도Isopropyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate is related to Etomidate (E933300) a is a short-acting intravenous anaesthetic agent used for dislocated joints, tracheal intubation, cardioversion and electroconvulsive therapy.

연결된 노트

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