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Bardoxolone methyl 50mg

CAT: 0628-A11323-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A11323-50Size:50 mg
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CAS Number
218600-53-4

Chemical Information

Bardoxolone Methyl

Bardoxolone methyl is a member of cyclohexenones.

CAS Number218600-53-4
PubChem CID400769
IUPAC Namemethyl (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 FormulaC32H43NO4
Molecular Weight505.7
XLogP6.7
Topological Polar Surface Area84.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count37
Formal Charge0
Complexity1210
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
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
WPTTVJLTNAWYAO-KPOXMGGZSA-N
Chemical Structure
2D Structure
2D structure of Bardoxolone Methyl
CAS: 218600-53-4
CID: 400769
Formula: C32H43NO4
MW: 505.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight505.7
XLogP36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass505.31920885
Monoisotopic Mass505.31920885
Topological Polar Surface Area84.2 Ų
Heavy Atom Count37
Formal Charge0
Complexity1210
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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FB15804-01Bardoxolone methyl
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LC216MIC (lipo C with B12) L-Carnitine 200mg Arginine 20mg Methionine 25mg Inositol 50mg Choline 50mg. B5 Dexpan 25mg B6 25mg, and B12 Methyl 1mg
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