3-(1-페닐-에틸)-3H-이미다졸-4-카르복실산

Desethyl-etomidate

HCID 297427

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 3157-27-5
표준 SMILES: CC(c1ccccc1)n1cncc1C(=O)O
InChIKey: RGYCCBLTSWHXIS-UHFFFAOYSA-N
분자식: C12H12N2O2
평균 분자량: 216.24 g/mol
단동위원소 질량: 216.08987763

이름 및 식별자

우선 이름: Desethyl-etomidate
IUPAC: 3-(1-phenylethyl)imidazole-4-carboxylic acid
현지명: 3-(1-페닐-에틸)-3H-이미다졸-4-카르복실산
영어명: 3-(1-Phenyl-ethyl)-3H-imidazole-4-carboxylic acid
분자식: C12H12N2O2
분자량: 216.24

이름 및 동의어

7036-56-81-(1-phenylethyl)-1H-imidazole-5-carboxylic acidDesethyl-etomidate3157-27-5Etomidate acid, (RS)-Desethyl-etomidate, (RS)-O36CTO4WLBEtomidate impurity A [EP]NSC-168567Etomidate specified impurity A [EP]1H-Imidazole-5-carboxylic acid, 1-(1-phenylethyl)-ETOMIDATE IMPURITY A [EP IMPURITY]

이름 더 보기

3-(1-페닐-에틸)-3H-이미다졸-4-카르복실산Etomidate impurity A -CEtomidate EP Impurity A3-(1-phenylethyl)imidazole-4-carboxylic acid1-[(1RS)-1-Phenylethyl]-1H-imidazole-5-carboxylic AcidEtomidate EP Impurity AQ: What is Etomidate EP Impurity A Q: What is the CAS Number of Etomidate EP Impurity A Q: What is the storage condition of Etomidate EP Impurity A Q: What are the applications of Etomidate EP Impurity A

Etomidate impurity AEtomidate impurity, etomidate acid-(USP)Etomidate impurity, etomidate acid-[USP]ETOMIDATE IMPURITY A (EP IMPURITY)ETOMIDATE IMPURITY, ETOMIDATE ACID-(USP IMPURITY)ETOMIDATE IMPURITY, ETOMIDATE ACID-[USP IMPURITY]RefChem:585791Etomidate specified impurity A

데이터베이스 식별자

CAS: 3157-27-5、7036-56-8
PubChem CID: 297427
ChEMBL: CHEMBL1378524
UNII: O36CTO4WLB
EC Number: 828-473-6

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

밀도: 1.21 · 1.21
물리적 상태: solid
InChI: 1S/C12H12N2O2/c1-9(10-5-3-2-4-6-10)14-8-13-7-11(14)12(15)16/h2-9H,1H3,(H,15,16)
InChIKey: RGYCCBLTSWHXIS-UHFFFAOYSA-N
SMILES: CC(c1ccccc1)n2cncc2C(O)=O