etomidate (CHEBI:4910)

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ChEBI Name	etomidate

ChEBI ID	CHEBI:4910

Definition	The ethyl ester of 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylic acid. It is an intravenous general anaesthetic with no analgesic activity.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:129090

Supplier Information

Download	Molfile XML SDF

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Formula

C14H16N2O2

Net Charge

Average Mass

244.28900

Monoisotopic Mass

244.12118

InChI

InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1

InChIKey

NPUKDXXFDDZOKR-LLVKDONJSA-N

SMILES

CCOC(=O)c1cncn1[C@H](C)c1ccccc1

Roles Classification
Application(s):	intravenous anaesthetic sedative A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.

ChEBI Ontology
Outgoing	etomidate (CHEBI:4910) has functional parent 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylic acid (CHEBI:60458) etomidate (CHEBI:4910) has role intravenous anaesthetic (CHEBI:38877) etomidate (CHEBI:4910) has role sedative (CHEBI:35717) etomidate (CHEBI:4910) is a ethyl ester (CHEBI:23990) etomidate (CHEBI:4910) is a imidazoles (CHEBI:24780)

IUPAC Name

ethyl 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylate

Synonyms	Sources
(+)-ethyl 1-(α-methylbenzyl)imidazole-5-carboxylate	ChemIDplus
(+)-etomidate	ChemIDplus
(R)-(+)-1-(α-methylbenzyl)imidazole-5-carboxylic acid ethyl ester	ChemIDplus
(R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic acid ethyl ester	ChEBI
3-((R)-1-Phenyl-ethyl)-3H-imidazole-4-carboxylic acid ethyl ester	ChEMBL
Etomidate	KEGG COMPOUND
R-(+)-ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylate	ChemIDplus

Last Modified

22 February 2017