Bardoxolone Methyl
methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate
Also Known As: Bardoxolone methyl|CDDO methyl ester|CDDO-Me|CDDO-Methyl ester|bardoxolone-methyl|Bardoxolone methyl ester|RTA 402|RTA402|RTA-402|Bardoxolone methyl [USAN]|CDDO-Me, 2|Bardoxolone methyl RTA 402|cc-371|Bardoxolone Methyl (CDDO-Me)|TP-155|GTPL3443|Bardoxolone methyl (JAN/USAN)|BARDOXOLONE METHYL [JAN]|AOB1215|BARDOXOLONE METHYL [WHO-DD]|Tox21_113229|s8078|BARDOXOLONE METHYL ESTER [MI]|AN-3346
| Molecular Formula | C32H43NO4 |
|---|---|
| Molecular Weight | 505.3192 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 505.3192 |
| Monoisotopic Mass | 505.3192 |
| Heavy Atoms | 37 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 21980-07-4 |
|---|---|
| SMILES | C[C@@]12CC[C@]3(CCC(C[C@H]3[C@H]1C(=O)C=C4[C@]2(CC[C@@H]5[C@@]4(C=C(C(=O)C5(C)C)C#N)C)C)(C)C)C(=O)OC |
| InChIKey | WPTTVJLTNAWYAO-KPOXMGGZSA-N |
Product Overview
Bardoxolone Methyl (CAS 21980-07-4), with molecular formula C32H43NO4 and molecular weight 505.3192 g/mol. IUPAC: methyl (4aS,6aR,6bS,8aR,12aS,14aR,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate.