Tapatybė

Bardoxolone Methyl

Nenurodyta · C32H43NO4

01Tapatybė

Lazychem ID	LC-108204
CAS RN	Nenurodyta
PubChem CID	400769
Molecular formula	C32H43NO4
Molecular weight	505.7 g/mol
IUPAC name	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
InChIKey	WPTTVJLTNAWYAO-KPOXMGGZSA-N

02Struktūra ir stereochemija

Two-dimensional chemical structure of Bardoxolone Methyl — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aliphatic carbon, has 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	7
Ring count	5
Secondary amines	0
Tertiary amines	0

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	Nenurodyta

03Stereochemistry

The published structure contains 7 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres7Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 128Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.