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CHEBI:230930 - Florbenazine
| Formula | C21H32FNO3 |
| Net Charge | 0 |
| Average Mass | 365.489 |
| Monoisotopic Mass | 365.23662 |
| SMILES | COc1cc2c(cc1OCCCF)CCN1C[C@@H](CC(C)C)[C@H](O)C[C@H]21 |
| InChI | InChI=1S/C21H32FNO3/c1-14(2)9-16-13-23-7-5-15-10-21(26-8-4-6-22)20(25-3)11-17(15)18(23)12-19(16)24/h10-11,14,16,18-19,24H,4-9,12-13H2,1-3H3/t16-,18-,19-/m1/s1 |
| InChIKey | GNKGXQHHUUEYQV-BHIYHBOVSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Mus musculus (ncbitaxon:10090) | feces (BTO:0000440) | MetaboLights (MTBLS9100) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Florbenazine (CHEBI:230930) is a organic molecular entity (CHEBI:50860) |
| IUPAC Name |
|---|
| (2R,3R,11bR)-9-(3-luoropropoxy)-10-methoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol |
| Manual Xrefs | Databases |
|---|---|
| 24640487 | ChemSpider |