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

HCID 201927
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基本情報

CAS
792842-51-4
標準SMILES
CC(C)OC(=O)c1cncn1C(C)c1ccccc1
InChIKey
SEKLTEXFLCQQIM-UHFFFAOYSA-N
分子式
C15H18N2O2
平均分子量
258.32 g/mol

名称と識別子

優先名称
1-Methylethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate
IUPAC
propan-2-yl 3-(1-phenylethyl)imidazole-4-carboxylate
英語名
Etomidate EP Impurity C
分子式
C15H18N2O2
分子量
258.32

名称と別名

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
名称をさらに表示
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

データベース識別子

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

物性

構造計算による物性

XLogP
3.5
極性表面積
44.1 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
5
重原子数
19

物理化学的性質

沸点
397.7 · 397.7±17.0 °C(Predicted)
比重(密度)
1.1 · 1.10±0.1 g/cm3(Predicted)
貯蔵温度
4 °C · 4°C
溶解性
DMSO（微量）、酢酸エチル（微量）
酸解離定数(Pka)
4.36 · 4.36±0.23(Predicted)
外見
油

化学と産業

応用分野

使用Isopropyl 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.

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