CHEBI:2402 - acetophenazine dimaleate

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ChEBI Name acetophenazine dimaleate
ChEBI ID CHEBI:2402
Definition A maleate salt obtained by combining acetophenazine with two molar equivalents of maleic acid.
Stars This entity has been manually annotated by the ChEBI Team.
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Formulae C23H29N3O2S.2C4H4O4
C31H37N3O10S
Net Charge 0
Average Mass 643.70500
Monoisotopic Mass 643.21997
InChI InChI=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-
InChIKey NUKVZKPNSKJGBK-SPIKMXEPSA-N
SMILES OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CC(=O)c1ccc2Sc3ccccc3N(CCCN3CCN(CCO)CC3)c2c1
Roles Classification
Application(s): phenothiazine antipsychotic drug

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ChEBI Ontology
Outgoing 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 Sources
1-(2-hydroxyethyl)-4-(3-(2-acetyl-10-phenothiazinyl)propyl)piperazine dimaleate ChemIDplus
10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-yl methyl ketone dimaleate ChemIDplus
10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-yl methyl ketone maleate (1:2) (salt) ChemIDplus
2-acetyl-10-(3-(4-(β-hydroxyethyl)piperazinyl)propyl)phenothiazine dimaleate ChemIDplus
acetophenazine dimaleate ChemIDplus
acetophenazine maleate ChemIDplus
Tindal maleate ChemIDplus
Manual Xrefs Databases
Acetophenazine Wikipedia
D00788 KEGG DRUG
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Registry Numbers Types Sources
15340248 Reaxys Registry Number Reaxys
5714-00-1 CAS Registry Number KEGG COMPOUND
5714-00-1 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
14064235 PubMed citation Europe PMC
14212064 PubMed citation Europe PMC
Last Modified
23 January 2015