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CHEBI:2402 - acetophenazine dimaleate

ChEBI IDCHEBI:2402
ChEBI Nameacetophenazine dimaleate
Stars
DefinitionA maleate salt obtained by combining acetophenazine with two molar equivalents of maleic acid.
Last Modified23 January 2015
DownloadsMolfile
FormulaC23H29N3O2S.2C4H4O4
Net Charge0
Average Mass643.715
Monoisotopic Mass643.21997
SMILESCC(=O)c1ccc2c(c1)N(CCCN1CCN(CCO)CC1)c1ccccc1S2.O=C(O)/C=C\C(=O)O.O=C(O)/C=C\C(=O)O
InChIInChI=1S/C23H29N3O2S.2C4H4O4/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;2*5-3(6)1-2-4(7)8/h2-3,5-8,17,27H,4,9-16H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
InChIKeyNUKVZKPNSKJGBK-SPIKMXEPSA-N
Wikipedia
Roles Classification
Application:
ChEBI Ontology
Outgoing Relation(s)
acetophenazine dimaleate (CHEBI:2402) has part acetophenazine (CHEBI:2401)
acetophenazine dimaleate (CHEBI:2402) has role phenothiazine antipsychotic drug (CHEBI:37930)
acetophenazine dimaleate (CHEBI:2402) is a maleate salt (CHEBI:50221)
IUPAC Name 
1-(10-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl}-10H-phenothiazin-2-yl)ethanone di[(2Z)-but-2-enedioate]
Synonyms  Source
acetophenazine dimaleateChemIDplus
10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-yl methyl ketone dimaleateChemIDplus
10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-yl methyl ketone maleate (1:2) (salt)ChemIDplus
1-(2-hydroxyethyl)-4-(3-(2-acetyl-10-phenothiazinyl)propyl)piperazine dimaleateChemIDplus
2-acetyl-10-(3-(4-(β-hydroxyethyl)piperazinyl)propyl)phenothiazine dimaleateChemIDplus
acetophenazine maleateChemIDplus
Manual XrefsDatabases
D00788KEGG DRUG
AcetophenazineWikipedia
Registry NumbersSources
Reaxys:15340248Reaxys
CAS:5714-00-1KEGG COMPOUND
CAS:5714-00-1ChemIDplus
Citations