Basic information
- CAS
792842-51-4- Standard SMILES
CC(C)OC(=O)c1cncn1C(C)c1ccccc1- InChIKey
SEKLTEXFLCQQIM-UHFFFAOYSA-N- Molecular formula
- C15H18N2O2
- Average molar mass
- 258.32 g/mol
Names & identifiers
- Preferred name
- 1-Methylethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate
- IUPAC
- propan-2-yl 3-(1-phenylethyl)imidazole-4-carboxylate
- English name
- Etomidate EP Impurity C
- Molecular formula
- C15H18N2O2
- Molecular weight
- 258.32
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
792842-51-4- PubChem CID
- 201927
- UNII
- 8XSU5C0VWZ
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 301
Physicochemical properties
- Boiling point
- 397.7 · 397.7±17.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- storage temp.
- 4 °C · 4°C
- solubility
- DMSO (Slightly), Ethyl Acetate (Slightly)
- pka
- 4.36 · 4.36±0.23(Predicted)
- form
- Oil
- color
- Pale Yellow to Light Yellow
- FDA UNII
- 8 XSU5C0VWZ · 8XSU5C0VWZ
Chemistry & industry
Applications
UsesIsopropyl 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.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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