Desethyl-etomidate, (R)-

HCID 759856CAS 56649-48-0

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Basic information

Standard SMILES
C[C@H](c1ccccc1)n1cncc1C(=O)O
InChIKey
RGYCCBLTSWHXIS-SECBINFHSA-N
Molecular formula
C12H12N2O2
Average molar mass
216.24 g/mol
Monoisotopic mass
216.08987762

Names & identifiers

Preferred name
Desethyl-etomidate, (R)-
IUPAC
1-[(1R)-1-Phenylethyl]-1H-imidazole-5-carboxylic acid
English name
(R)-(+)-1-(1-Phenylethyl)-1H-imidazole-5-carboxylic acid
Molecular formula
C12H12N2O2
Molecular weight
216.24

Names & synonyms

EtoMidate AcidR28141Etomidate-1Desethyl-etomidateEtomidate Impurity 2(R)-DESETHYL-ETOMIDATEEtomEtomidateidate Impurity 2Etomidate Impurity A as R-Enantiomer(R)-Etomidate Acid Methanol SolutionEtomidate EP Impurity A ((R)-Isomer)

Database identifiers

CAS
56649-48-0
PubChem CID
759856
DTXSID
DTXSID20205217
ChEMBL
CHEMBL408404
ChEBI
CHEBI:60458
UNII
324NBY7A0M

Properties

Physicochemical properties

Melting point
156.3 °C · 156.3 °C
Boiling point
437.5 · 437.5±20.0 °C(Predicted)
Density
1.21 · 1.21±0.1 g/cm3(Predicted)
storage temp.
2 · Storage temp. 2-8°C
solubility
DMSO (Slightly), Methanol (Slightly, Heated), Water (Slightly, Heated)
form
Solid

Chemistry & industry

Applications

UsesEtomidate Acid is a metabolite and carboxylic acid analogue of the short-acting hypnotic drug, Etomidate (E933310).

Suppliers46 total

上海策嵘生物科技有限公司[email protected]
济南百隆化学有限公司[email protected] · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
Additional notes · 1 item

DefinitionChEBI: 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylic acid is ethylbenzene in which the pro-R alpha-hydrogen is substituted by the nitrogen at the 1 position of 1H-imidazole-5-carboxylic acid. Its ethyl ester, etomidate, is used as an intravenous anaesthetic.

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