(3R,11bR)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one
Properties
- Molecular formula
- C19H27NO3
- Molar mass
- 317.43 g/mol
- Exact mass
- 317.1991 Da
- Melting point
- 108–110 °C
- logP
- 3.24Crippen estimate
- Polar surface area
- 38.8 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 4
- Stereocentres
- R, Rin SMILES atom order
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
1026016-83-0SMILES
COc1cc2c(cc1OC)[C@H]1CC(=O)[C@H](CC(C)C)CN1CC2InChIKey
MKJIEFSOBYUXJB-GDBMZVCRSA-NInChI
InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3/t14-,16-/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
6 names
- 2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, (3R,11bR)-
- (+)-Tetrabenazine
- (+)-TBZ
- (3R,11bR)-TBZ
- (3R,11bR)-Tetrabenazine
- (3R,11BR)-9,10-dimethoxy-3-(2-methylpropyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
Work with (3R,11bR)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
L-Valine (2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-yl ester1025504-45-355 % similar
(±)-Tetrahydropalmatine10097-84-443 % similar
(±)-Tetrahydropalmatine2934-97-643 % similar
D-Tetrahydropalmatine3520-14-743 % similar
(-)-Tetrahydropalmatine483-14-743 % similar
Dl-Tetrahydropalmatine hydrochloride6024-85-742 % similar
Cephaeline483-17-040 % similar
Corydaline518-69-440 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds