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CHEBI:2401 - acetophenazine

ChEBI IDCHEBI:2401
ChEBI Nameacetophenazine
Stars
DefinitionA 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.
Last Modified22 February 2017
DownloadsMolfile
FormulaC23H29N3O2S
Net Charge0
Average Mass411.571
Monoisotopic Mass411.19805
SMILESCC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2
InChIInChI=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
InChIKeyWNTYBHLDCKXEOT-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)
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 Relation(s)
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
AcetophenazineKEGG COMPOUND
Manual XrefsDatabases
C06807KEGG COMPOUND
AcetophenazineWikipedia
DB01063DrugBank
HMDB0015196HMDB
59DrugCentral
Registry NumbersSources
Reaxys:57631Reaxys
CAS:2751-68-0KEGG COMPOUND
CAS:2751-68-0ChemIDplus
CAS:2751-68-0NIST Chemistry WebBook
Citations