| Identification | Back Directory | [Name]
(2R,3R,11bR)-9-(3-fluoropropoxy)-3-isobutyl-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-ol | [CAS]
937245-42-6 | [Synonyms]
Florbenazine
(2R,3R,11bR)-9-(3-fluoropropoxy)-3-isobutyl-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-ol
2H-Benzo[a]quinolizin-2-ol, 9-(3-fluoropropoxy)-1,3,4,6,7,11b-hexahydro-10-methoxy-3-(2-methylpropyl)-, (2R,3R,11bR)- | [Molecular Formula]
C21H32FNO3 | [MOL File]
937245-42-6.mol | [Molecular Weight]
365.48 |
| Chemical Properties | Back Directory | [Boiling point ]
496.0±45.0 °C(Predicted) | [density ]
1.14±0.1 g/cm3(Predicted) | [pka]
14.75±0.40(Predicted) | [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 | [SMILES]
C12=CC(OC)=C(OCCCF)C=C1CCN1[C@]2([H])C[C@@H](O)[C@H](CC(C)C)C1 |
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