etomidate (CHEBI:4910)

CHEBI:4910 - etomidate

ChEBI ID	CHEBI:4910
ChEBI Name	etomidate
Stars
Definition	The ethyl ester of 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylic acid. It is an intravenous general anaesthetic with no analgesic activity.
Secondary ChEBI ID	CHEBI:129090
Last Modified	22 February 2017
Downloads	Molfile

Formula	C14H16N2O2
Net Charge	0
Average Mass	244.294
Monoisotopic Mass	244.12118
SMILES	CCOC(=O)c1cncn1[C@H](C)c1ccccc1
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

Roles Classification

sedative A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.

antihypertensive agent Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.

ChEBI Ontology

Outgoing Relation(s)
	etomidate (CHEBI:4910) has functional parent 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylic acid (CHEBI:60458)
	etomidate (CHEBI:4910) has role antihypertensive agent (CHEBI:35674)
	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	Source
3-((R)-1-Phenyl-ethyl)-3H-imidazole-4-carboxylic acid ethyl ester	ChEMBL
(+)-ethyl 1-(α-methylbenzyl)imidazole-5-carboxylate	ChemIDplus
(+)-etomidate	ChemIDplus
Etomidate	KEGG COMPOUND
(R)-1-(1-phenylethyl)-1H-imidazole-5-carboxylic acid ethyl ester	ChEBI
(R)-(+)-1-(α-methylbenzyl)imidazole-5-carboxylic acid ethyl ester	ChemIDplus

Citations