EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:759972 - fosrolapitant

Default Structure
ChEBI IDCHEBI:759972
ChEBI Namefosrolapitant
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC27H29F6N2O8P
Net Charge0
Average Mass654.497
Monoisotopic Mass654.15657
SMILESC[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCC(=O)N2)CN1C(=O)OCOP(=O)(O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C27H29F6N2O8P/c1-17(18-11-20(26(28,29)30)13-21(12-18)27(31,32)33)41-15-25(19-5-3-2-4-6-19)10-9-24(8-7-22(36)34-24)14-35(25)23(37)42-16-43-44(38,39)40/h2-6,11-13,17H,7-10,14-16H2,1H3,(H,34,36)(H2,38,39,40)/t17-,24-,25-/m1/s1
InChIKeyPKXQGSOAMISYFP-LJXNEXSDSA-N
ChEBI Ontology
Outgoing Relation(s)
fosrolapitant (CHEBI:759972) is a piperidines (CHEBI:26151)
INN  Source
fosrolapitantWHO MedNet