Mifepristone Impurity 3

01Tapatybė

Lazychem ID	LC-48353
CAS RN	Nenurodyta
PubChem CID	7048587
Molecular formula	C29H35NO2
Molecular weight	429.6 g/mol
IUPAC name	(8S,11R,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
InChIKey	VKHAHZOOUSRJNA-QYQUYBGJSA-N

02Struktūra ir stereochemija

Two-dimensional chemical structure of Mifepristone Impurity 3 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres	5
Ring count	5
Secondary amines	0
Tertiary amines	1

SMILES	CC#C[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)O
InChI	Nenurodyta

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 32Before symmetry reduction

Published same-connectivity configurations

4 records

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.

CAS not listed

VKHAHZOOUSRJNA-QYQUYBGJSA-N

Current configuration

Two-dimensional chemical structure of (8S,11S,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

(8S,11S,13S,14S,17R)-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

CAS not listed

VKHAHZOOUSRJNA-ZWWPDORQSA-N

5 defined, 0 unassigned centres

11-ent-Mifepristone

CAS not listed

VKHAHZOOUSRJNA-PWOFSUAHSA-N

5 defined, 0 unassigned centres

Mifepristone (1443759)

CAS 84371-65-3

VKHAHZOOUSRJNA-GCNJZUOMSA-N

5 defined, 0 unassigned centres

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Statusas Indijoje

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

Mifepristone Impurity 3

01Tapatybė

02Struktūra ir stereochemija

03Stereochemistry

Published same-connectivity configurations