Bardoxolone methyl

CAS Registry Number®

218600-53-4

CAS Name

Bardoxolone methyl

Molecular Formula

C32H43NO4

Molecular Mass

505.69

Cite this Page

Bardoxolone methyl.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=218600-53-4 (retrieved 2024-11-22) (CAS RN: 218600-53-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22-,24-,29-,30+,31+,32-/m0/s1

InChIKey

InChIKey=WPTTVJLTNAWYAO-KPOXMGGZSA-N

SMILES

C(OC)(=O)[C@]12[C@]([C@@]3([C@@](C)(CC1)[C@@]4(C)C(=CC3=O)[C@]5(C)[C@@](CC4)(C(C)(C)C(=O)C(C#N)=C5)[H])[H])(CC(C)(C)CC2)[H]

Canonical SMILES

N#CC1=CC2(C3=CC(=O)C4C5CC(C)(C)CCC5(C(=O)OC)CCC4(C)C3(C)CCC2C(C1=O)(C)C)C

Other Names for this Substance

  • Oleana-1,9(11)-dien-28-oic acid, 2-cyano-3,12-dioxo-, methyl ester
  • CDDO-Me
  • Methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate
  • CDDO Methyl ester
  • RTA 402

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CAS INSIGHTSTM
Targeted protein degrader structure, illustration