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CHEBI:90934 - cariprazine(1+)

ChEBI IDCHEBI:90934
ChEBI Namecariprazine(1+)
Stars
DefinitionAn organic cation obtained by protonation of cariprazine.
Last Modified13 January 2016
SubmitterSteve
DownloadsMolfile
FormulaH.C21H32Cl2N4O
Net Charge+1
Average Mass428.428
Monoisotopic Mass427.20259
SMILESCN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1.[H+]
InChIInChI=1S/C21H32Cl2N4O/c1-25(2)21(28)24-17-8-6-16(7-9-17)10-11-26-12-14-27(15-13-26)19-5-3-4-18(22)20(19)23/h3-5,16-17H,6-15H2,1-2H3,(H,24,28)/p+1/t16-,17-
InChIKeyKPWSJANDNDDRMB-QAQDUYKDSA-O
ChEBI Ontology
Outgoing Relation(s)
cariprazine(1+) (CHEBI:90934) is a ammonium ion derivative (CHEBI:35274)
cariprazine(1+) (CHEBI:90934) is a organic cation (CHEBI:25697)
cariprazine(1+) (CHEBI:90934) is conjugate acid of cariprazine (CHEBI:90933)
Incoming Relation(s)
cariprazine hydrochloride (CHEBI:90932) has part cariprazine(1+) (CHEBI:90934)
cariprazine (CHEBI:90933) is conjugate base of cariprazine(1+) (CHEBI:90934)
Synonym  Source
cariprazine cationChEBI