L-Valine (2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-yl ester

CAS Registry Number®

1025504-45-3

CAS Name

L-Valine (2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-yl ester

Molecular Formula

C24H38N2O4

Molecular Mass

418.57

Cite this Page

L-Valine (2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-yl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1025504-45-3 (retrieved 2024-11-21) (CAS RN: 1025504-45-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H38N2O4/c1-14(2)9-17-13-26-8-7-16-10-21(28-5)22(29-6)11-18(16)19(26)12-20(17)30-24(27)23(25)15(3)4/h10-11,14-15,17,19-20,23H,7-9,12-13,25H2,1-6H3/t17-,19-,20-,23+/m1/s1

InChIKey

InChIKey=GEJDGVNQKABXKG-CFKGEZKQSA-N

SMILES

O(C([C@H](C(C)C)N)=O)[C@@H]1C[C@@]2(C=3C(=CC(OC)=C(OC)C3)CCN2C[C@H]1CC(C)C)[H]

Canonical SMILES

O=C(OC1CC2C3=CC(OC)=C(OC)C=C3CCN2CC1CC(C)C)C(N)C(C)C

Other Names for this Substance

  • L-Valine, (2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-yl ester
  • L-Valine (2R,3R,11bR)-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo[a]quinolizin-2-yl ester
  • Valbenazine
  • NBI 98854
  • Ingrezza

CAS INSIGHTSTM
Targeted protein degrader structure, illustration