chempirical

(±)-Tetrabenazine

C19H27NO3CAS 58-46-8317.43 g/mol

Open in Covalent MOL file
OOON
KetoneTertiary Amine

Properties

Molecular formula
C19H27NO3
Molar mass
317.43 g/mol
Exact mass
317.1991 Da
Melting point
128 °C
logP
3.24Crippen estimate
Polar surface area
38.8 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
4

Identifiers

CAS number
58-46-8
SMILES
COc1cc2c(cc1OC)[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2
InChIKey
MKJIEFSOBYUXJB-HOCLYGCPSA-N
InChI
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-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, (3R,11bR)-rel-
  • 2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-3-isobutyl-9,10-dimethoxy-
  • 2H-Benzo[a]quinolizin-2-one, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, cis-
  • Rel-(3R,11bR)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-one
  • Ro 1-9569
  • cis-2-Oxo-3-isobutyl-9,10-dimethoxy-1,2,3,4,6,7-hexahydro-11bH-benzo[a]quinolizine
  • Tetrabenazine
  • Rubigen
  • NSC 169886
  • NSC 172187
  • Xenazine

Work with (±)-Tetrabenazine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

(3R,11Br)-1,3,4,6,7,11B-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[A]quinolizin-2-one1026016-83-0 3-Oxo-4-aza-5α-androst-1-ene-17β-carboxylic acid104239-97-6 Nateglinide105816-04-4

Elsewhere

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