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CHEBI:135967 - casopitant

ChEBI IDCHEBI:135967
ChEBI Namecasopitant
Stars
Last Modified23 February 2017
DownloadsMolfile
FormulaC30H35F7N4O2
Net Charge0
Average Mass616.622
Monoisotopic Mass616.26482
SMILESCC(=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
InChIInChI=1S/C30H35F7N4O2/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/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3/t19-,25+,27-/m1/s1
InChIKeyXGGTZCKQRWXCHW-WMTVXVAQSA-N
ChEBI Ontology
Outgoing Relation(s)
casopitant (CHEBI:135967) is a piperidines (CHEBI:26151)
Synonyms  Source
GW679769DrugCentral
casopitant mesilateDrugCentral
casopitant mesylateDrugCentral
GW-679769DrugCentral
zunrisaDrugCentral
Manual XrefsDatabases
4401DrugCentral
Registry NumbersSources
CAS:414910-27-3DrugCentral