Desethyl-etomidate

HCID 297427

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基本情報

CAS: 3157-27-5
標準SMILES: CC(c1ccccc1)n1cncc1C(=O)O
InChIKey: RGYCCBLTSWHXIS-UHFFFAOYSA-N
分子式: C12H12N2O2
平均分子量: 216.24 g/mol
単同位体質量: 216.08987763

名称と識別子

優先名称: Desethyl-etomidate
IUPAC: 3-(1-phenylethyl)imidazole-4-carboxylic acid
英語名: 3-(1-Phenyl-ethyl)-3H-imidazole-4-carboxylic acid
分子式: C12H12N2O2
分子量: 216.24

名称と別名

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]

名称をさらに表示

Etomidate 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

データベース識別子

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

物性

構造計算による物性

XLogP: 2.4
極性表面積: 55.1 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 3
重原子数: 16
形式電荷: 0
複雑度: 251

物理化学的性質

比重(密度): 1.21 · 1.21
外見: 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