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CHEBI:34912 - perphenazine maleate

ChEBI IDCHEBI:34912
ChEBI Nameperphenazine maleate
Stars
Last Modified3 August 2014
DownloadsMolfile
Formula4H.C21H26ClN3OS.2C4H2O4
Net Charge0
Average Mass636.123
Monoisotopic Mass635.17043
SMILESO=C([O-])/C=C\C(=O)[O-].O=C([O-])/C=C\C(=O)[O-].OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1.[H+].[H+].[H+].[H+]
InChIInChI=1S/C21H26ClN3OS.2C4H4O4/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26;2*5-3(6)1-2-4(7)8/h1-2,4-7,16,26H,3,8-15H2;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKeyHYYMPXVEPSKZOU-SPIKMXEPSA-N
Roles Classification
Application:
ChEBI Ontology
Outgoing Relation(s)
perphenazine maleate (CHEBI:34912) has part perphenazine (CHEBI:8028)
perphenazine maleate (CHEBI:34912) has role phenothiazine antipsychotic drug (CHEBI:37930)
perphenazine maleate (CHEBI:34912) is a maleate salt (CHEBI:50221)
IUPAC Name 
2-{4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazin-1-yl}ethanol di[(2Z)-but-2-enedioate]
Synonym  Source
Perphenazine maleateKEGG COMPOUND
Manual XrefsDatabases
C13540KEGG COMPOUND
D02037KEGG DRUG
DB00850DrugBank
Registry NumbersSources
Beilstein:4226332Beilstein
CAS:5352-90-9ChemIDplus