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CHEBI:44932 - acepromazine

ChEBI IDCHEBI:44932
ChEBI Nameacepromazine
Stars
DefinitionA member of the class of phenothiazines that is 10H-phenothiazine substituted by an acetyl group at position 2 and a 3-(dimethylamino)propyl group at position 10.
Secondary ChEBI IDsCHEBI:37967, CHEBI:44928
Last Modified22 February 2017
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC19H22N2OS
Net Charge0
Average Mass326.465
Monoisotopic Mass326.14528
SMILESCC(=O)c1ccc2c(c1)N(CCCN(C)C)c1ccccc1S2
InChIInChI=1S/C19H22N2OS/c1-14(22)15-9-10-19-17(13-15)21(12-6-11-20(2)3)16-7-4-5-8-18(16)23-19/h4-5,7-10,13H,6,11-12H2,1-3H3
InChIKeyNOSIYYJFMPDDSA-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
ChEBI Ontology
Outgoing Relation(s)
acepromazine (CHEBI:44932) has role phenothiazine antipsychotic drug (CHEBI:37930)
acepromazine (CHEBI:44932) is a aromatic ketone (CHEBI:76224)
acepromazine (CHEBI:44932) is a methyl ketone (CHEBI:51867)
acepromazine (CHEBI:44932) is a phenothiazines (CHEBI:38093)
acepromazine (CHEBI:44932) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
1-{10-[3-(dimethylamino)propyl]-10H-phenothiazin-2-yl}ethanone
Synonyms  Source
acepromazineNIST Chemistry WebBook
acetopromazineChemIDplus
acetylpromazineChemIDplus
acetazineNIST Chemistry WebBook
1-[10-(3-DIMETHYLAMINO-PROPYL)-10H-PHENOTHIAZIN-2-YL]-ETHANONEPDBeChem
10-(3-dimethylaminopropyl)phenothiazine-3-ethyloneChemIDplus
Manual XrefsDatabases
PMZPDBeChem
DB01614DrugBank
D07065KEGG DRUG
HMDB0015552HMDB
US4213981Patent
AcepromazineWikipedia
LSM-4609LINCS
73DrugCentral
Registry NumbersSources
Beilstein:40187Beilstein
Reaxys:40187Reaxys
CAS:61-00-7NIST Chemistry WebBook
CAS:61-00-7ChemIDplus
Citations