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CHEBI:230796 - orvepitant
| Formula | C31H35F7N4O2 |
| Net Charge | 0 |
| Average Mass | 628.633 |
| Monoisotopic Mass | 628.26482 |
| SMILES | Cc1cc(F)ccc1[C@H]1C[C@@H](N2CCN3C(=O)CC[C@H]3C2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
| InChI | InChI=1S/C31H35F7N4O2/c1-18-12-23(32)4-6-26(18)27-16-24(40-10-11-41-25(17-40)5-7-28(41)43)8-9-42(27)29(44)39(3)19(2)20-13-21(30(33,34)35)15-22(14-20)31(36,37)38/h4,6,12-15,19,24-25,27H,5,7-11,16-17H2,1-3H3/t19-,24+,25+,27-/m1/s1 |
| InChIKey | XWNBGDJPEXZSQM-VZOBGQTKSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | feces (BTO:0000440) | MetaboLights (MTBLS9087) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| orvepitant (CHEBI:230796) is a organic molecular entity (CHEBI:50860) |
| IUPAC Name |
|---|
| (2R,4S)-4-[(8aS)-6-oxo-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl]-N-[(1R)-1-[3,5-bis(triluoromethyl)phenyl]ethyl]-2-(4-luoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide |