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CHEBI:229902 - serlopitant
| Formula | C29H28F7NO2 |
| Net Charge | 0 |
| Average Mass | 555.534 |
| Monoisotopic Mass | 555.20083 |
| SMILES | C[C@@H](O[C@H]1CC[C@@H]2CN(C3=CC(=O)CC3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
| InChI | InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1 |
| InChIKey | FLNYCRJBCNNHRH-OIYLJQICSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Homo sapiens (ncbitaxon:9606) | feces (BTO:0000440) | MetaboLights (MTBLS9087) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| serlopitant (CHEBI:229902) is a (trifluoromethyl)benzenes (CHEBI:83565) |
| IUPAC Name |
|---|
| 3-[(3aR,4R,5S,7aS)-5-[(1R)-1-[3,5-bis(triluoromethyl)phenyl]ethoxy]-4-(4-luorophenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]cyclopent-2-en-1-one |