In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 12th, 2006 | 23 | Yes |
Popular Name: b-Dihydrotetrabenazine b-Dihydrotetrabenazine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 113627-25-1 , 164104-49-8 , 85081-18-1 , 924854-60-4 , [3466-75-9]
(2S,3S,11bS)-3-Isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-ol
2h-benzo[a]quinolizin-2-ol,1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-,(2r,3r,11br)-
2h-benzo[a]quinolizin-2-ol,1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-,(2s,3r,11br)-
2h-benzo[a]quinolizin-2-ol,1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-,(2s,3s,11bs)-
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.05 | -0.31 | -44.38 | 2 | 4 | 1 | 43 | 320.453 | 4 | ↓ |