CHEBI:2401 - acetophenazine

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ChEBI Name acetophenazine
ChEBI ID CHEBI:2401
Definition A member of the class of phenothiazines that is 10H-phenothiazine substituted by a 3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl group at the nitogen atom and an acetyl group at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C23H29N3O2S
Net Charge 0
Average Mass 411.56138
Monoisotopic Mass 411.198
InChI InChI=1S/C23H29N3O2S/c1-18(28)19-7-8-23-21(17-19)26(20-5-2-3-6-22(20)29-23)10-4-9-24-11-13-25(14-12-24)15-16-27/h2-3,5-8,17,27H,4,9-16H2,1H3
InChIKey WNTYBHLDCKXEOT-UHFFFAOYSA-N
SMILES CC(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(CCO)CC3)c2c1
Roles Classification
Application(s): phenothiazine antipsychotic drug

View more via ChEBI Ontology
ChEBI Ontology
Outgoing acetophenazine (CHEBI:2401) has functional parent 10H-phenothiazine (CHEBI:37931)
acetophenazine (CHEBI:2401) has role phenothiazine antipsychotic drug (CHEBI:37930)
acetophenazine (CHEBI:2401) is a N-(2-hydroxyethyl)piperazine (CHEBI:46851)
acetophenazine (CHEBI:2401) is a N-alkylpiperazine (CHEBI:46845)
acetophenazine (CHEBI:2401) is a phenothiazines (CHEBI:38093)
Incoming acetophenazine dimaleate (CHEBI:2402) has part acetophenazine (CHEBI:2401)
IUPAC Name
1-(10-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-10H-phenothiazin-2-yl)ethanone
Synonym Source
Acetophenazine KEGG COMPOUND
Database Links Databases
59 DrugCentral
Acetophenazine Wikipedia
C06807 KEGG COMPOUND
DB01063 DrugBank
HMDB0015196 HMDB
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Registry Numbers Types Sources
2751-68-0 CAS Registry Number ChemIDplus
2751-68-0 CAS Registry Number NIST Chemistry WebBook
57631 Beilstein Registry Number Beilstein
57631 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
13904111 PubMed citation Europe PMC
13986480 PubMed citation Europe PMC
14020672 PubMed citation Europe PMC
14211419 PubMed citation Europe PMC
Last Modified
22 February 2017