CHEBI:4910 - etomidate

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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
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Formula C14H16N2O2
Net Charge 0
Average Mass 244.28900
Monoisotopic Mass 244.121
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.
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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
INNs Sources
etomidate ChemIDplus
etomidato ChemIDplus
etomidatum ChemIDplus
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
Database Links Databases
1109 DrugCentral
C07522 KEGG COMPOUND
D00548 KEGG DRUG
DB00292 DrugBank
DE2609573 Patent
LSM-37126 LINCS
US3991072 Patent
View more database links
Registry Numbers Types Sources
33125-97-2 CAS Registry Number KEGG COMPOUND
33125-97-2 CAS Registry Number NIST Chemistry WebBook
33125-97-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
12646036 PubMed citation ChEMBL
18348518 PubMed citation ChEMBL
Last Modified
22 February 2017