Bardoxolone (CDDO) 50mg

CAT: 0628-A11324-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A11324-50Size:50 mg

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CAS Number

218600-44-3

Chemical Information

Bardoxolone

Bardoxolone is a member of cyclohexenones.

CAS Number	218600-44-3
PubChem CID	400010
IUPAC Name	(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-carboxylic acid
Molecular Formula	C31H41NO4
Molecular Weight	491.7
XLogP	6.4
Topological Polar Surface Area	95.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Heavy Atom Count	36
Formal Charge	0
Complexity	1200

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)O

InChI

InChI=1S/C31H41NO4/c1-26(2)10-12-31(25(35)36)13-11-30(7)23(19(31)16-26)20(33)14-22-28(5)15-18(17-32)24(34)27(3,4)21(28)8-9-29(22,30)6/h14-15,19,21,23H,8-13,16H2,1-7H3,(H,35,36)/t19-,21-,23-,28-,29+,30+,31-/m0/s1

InChIKey

TXGZJQLMVSIZEI-UQMAOPSPSA-N

Chemical Structure

2D Structure

CAS: 218600-44-3

CID: 400010

Formula: C31H41NO4

MW: 491.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	491.7
XLogP3	6.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
Exact Mass	491.30355879
Monoisotopic Mass	491.30355879
Topological Polar Surface Area	95.2 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	1200
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
A11324-10	Bardoxolone (CDDO) 10mg
A11324-5	Bardoxolone (CDDO) 5mg
A11324-100	Bardoxolone (CDDO) 100mg
A11324-25	Bardoxolone (CDDO) 25mg
A11324-10mM-D	Bardoxolone (CDDO) 10mM * 1mL in DMSO
A11323-50	Bardoxolone methyl 50mg
A16299-50	CDDO-EA 50mg
A16308-50	CDDO-Im 50mg
A19751-50	CDDO-dhTFEA 50mg
A11323-25	Bardoxolone methyl 25mg

Alternative Products

Catalog	Name
S6647-25mg	Bardoxolone (CDDO)
217264	CDDO-Me (NSC 713200, Bardoxolone Methyl, BARD, Methyl-2-cyano-3,12-dioxooleana-1,9 (11) -dien-28-oate)
FLB29884-01	Bardoxolone
262095-01	Bardoxolone methyl

Bardoxolone (CDDO) 50mg

Chemical Information

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