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CHEBI:752565 - casopitant mesylate
| Formula | CH4O3S.C30H35F7N4O2 |
| Net Charge | 0 |
| Average Mass | 712.729 |
| Monoisotopic Mass | 712.25294 |
| SMILES | CC(=O)N1CCN([C@H]2CCN(C(=O)N(C)[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3C)C2)CC1.CS(=O)(=O)O |
| InChI | InChI=1S/C30H35F7N4O2.CH4O3S/c1-18-13-24(31)5-6-26(18)27-17-25(40-11-9-39(10-12-40)20(3)42)7-8-41(27)28(43)38(4)19(2)21-14-22(29(32,33)34)16-23(15-21)30(35,36)37;1-5(2,3)4/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3;1H3,(H,2,3,4)/t19-,25+,27-;/m1./s1 |
| InChIKey | YRFKYVWDPCOSTE-REWBLLDVSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| casopitant mesylate (CHEBI:752565) is a piperidines (CHEBI:26151) |
| Synonyms | Source |
|---|---|
| GW-679769B | ChEMBL |
| GW679769B | ChEMBL |
| Citations |
|---|