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CHEBI:748178 - dapitant

Default Structure
ChEBI IDCHEBI:748178
ChEBI Namedapitant
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC37H39NO4
Net Charge0
Average Mass561.722
Monoisotopic Mass561.28791
SMILES[H][C@@]12CN(C(=O)[C@@H](C)c3ccccc3OC)C[C@]1([H])C(c1ccccc1)(c1ccccc1)CC[C@@]2(O)c1ccccc1OC
InChIInChI=1S/C37H39NO4/c1-26(29-18-10-12-20-33(29)41-2)35(39)38-24-31-32(25-38)37(40,30-19-11-13-21-34(30)42-3)23-22-36(31,27-14-6-4-7-15-27)28-16-8-5-9-17-28/h4-21,26,31-32,40H,22-25H2,1-3H3/t26-,31-,32+,37+/m0/s1
InChIKeyCCIWVEMVBWEMCY-RCFOMQFPSA-N
ChEBI Ontology
Outgoing Relation(s)
dapitant (CHEBI:748178) is a diarylmethane (CHEBI:51614)
INN  Source
dapitantWHO MedNet
Synonyms  Source
RPR-100893ChEMBL
RPR100893ChEMBL