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CHEBI:4910 - etomidate

ChEBI IDCHEBI:4910
ChEBI Nameetomidate
Stars
DefinitionThe ethyl ester of 1-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxylic acid. It is an intravenous general anaesthetic with no analgesic activity.
Secondary ChEBI IDCHEBI:129090
Last Modified22 February 2017
DownloadsMolfile
FormulaC14H16N2O2
Net Charge0
Average Mass244.294
Monoisotopic Mass244.12118
SMILESCCOC(=O)c1cncn1[C@H](C)c1ccccc1
InChIInChI=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
InChIKeyNPUKDXXFDDZOKR-LLVKDONJSA-N
Roles Classification
Applications:
sedative  A central nervous system depressant used to induce drowsiness or sleep or to reduce psychological excitement or anxiety.
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 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  Source
etomidateChemIDplus
etomidatumChemIDplus
etomidatoChemIDplus
Synonyms  Source
EtomidateKEGG COMPOUND
3-((R)-1-Phenyl-ethyl)-3H-imidazole-4-carboxylic acid ethyl esterChEMBL
(+)-etomidateChemIDplus
(R)-(+)-1-(α-methylbenzyl)imidazole-5-carboxylic acid ethyl esterChemIDplus
R-(+)-ethyl 1-(1-phenylethyl)-1H-imidazole-5-carboxylateChemIDplus
(+)-ethyl 1-(α-methylbenzyl)imidazole-5-carboxylateChemIDplus
Manual XrefsDatabases
C07522KEGG COMPOUND
DB00292DrugBank
D00548KEGG DRUG
DE2609573Patent
US3991072Patent
LSM-37126LINCS
1109DrugCentral
Registry NumbersSources
CAS:33125-97-2KEGG COMPOUND
CAS:33125-97-2ChemIDplus
CAS:33125-97-2NIST Chemistry WebBook
Citations