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
Molecular Identity
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
PubChem CID: 400769
Bardoxolone methyl is a member of cyclohexenones.
2D Structure
Properties
C32H43NO4
Molecular Formula
505.70
Molecular Weight
g/mol
505.3192
Exact Mass
Da
6.7
XLogP
Above Lipinski threshold
84.2
TPSA
Good oral absorption (< 140 A²)
0
H-Bond Donors
5
H-Bond Acceptors
1210
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Bardoxolone methyl218600-53-4CDDO-MeCDDO methyl esterCDDO-Methyl esterRTA 402RTA-402RTA402NSC 713200methyl (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-carboxylateNSC713200Bardoxolone methyl esterCEG1Q6OGU1NSC-713200DTXSID5048764
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Bardoxolone methyl
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