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CHEBI:752584 - maropitant citrate

Default Structure
ChEBI IDCHEBI:752584
ChEBI Namemaropitant citrate
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaH2O.C32H40N2O.C6H8O7
Net Charge0
Average Mass678.823
Monoisotopic Mass678.35163
SMILESCOc1ccc(C(C)(C)C)cc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1.O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C32H40N2O.C6H8O7.H2O/c1-32(2,3)27-15-16-28(35-4)26(21-27)22-33-30-25-17-19-34(20-18-25)31(30)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24;7-3(8)1-6(13,5(11)12)2-4(9)10;/h5-16,21,25,29-31,33H,17-20,22H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2/t30-,31-;;/m0../s1
InChIKeyPGVSXRHFXJOMGW-YBZGWEFGSA-N
ChEBI Ontology
Outgoing Relation(s)
maropitant citrate (CHEBI:752584) is a diarylmethane (CHEBI:51614)
Synonyms  Source
CereniaChEMBL
CJ-11,972ChEMBL
CJ-11972ChEMBL
Maropitant citrateChEMBL
Maropitant citrate monohydrateChEMBL