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(±)-Tetrabenazine

CAS Registry Number®

58-46-8

CAS Name

(±)-Tetrabenazine

Molecular Formula

C19H27NO3

Molecular Mass

317.42

Cite this Page

(±)-Tetrabenazine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58-46-8 (retrieved 2024-11-22) (CAS RN: 58-46-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    128 °C

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1/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-/s2

InChIKey

InChIKey=MKJIEFSOBYUXJB-VTLFJGNJNA-N

SMILES

O(C)C=1C=C2[C@]3(N(C[C@H](CC(C)C)C(=O)C3)CCC2=CC1OC)[H]

Canonical SMILES

O=C1CC2C3=CC(OC)=C(OC)C=C3CCN2CC1CC(C)C

Other Names for this Substance

  • 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

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Deleted or Replaced CAS Registry Numbers

2104-79-2, 39630-28-9

CAS INSIGHTSTM
Targeted protein degrader structure, illustration