Identität

Dutasteride Chloro Impurity

Nicht angegeben · C27H31ClF6N2O2

01Identität

Lazychem ID	LC-38464
CAS RN	Nicht angegeben
PubChem CID	71314720
Molecular formula	C27H31ClF6N2O2
Molecular weight	565.0 g/mol
IUPAC name	(1R,3aR,3bR,5aS,9aS,9bR,11aR)-N-[2,5-bis(trifluoromethyl)phenyl]-9-chloro-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,8,9,9b,10,11-tetradecahydroindeno[5,4-f]quinoline-1-carboxamide
InChIKey	MKZGQDFQXQLWNU-PHHREDDHSA-N

02Struktur und Stereochemie

Two-dimensional chemical structure of Dutasteride Chloro Impurity — 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 7 defined stereocentres, contains at least one halogen atom. 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@@H]3[C@@H]([C@H]1CC[C@H]2C(=O)NC4=C(C=CC(=C4)C(F)(F)F)C(F)(F)F)CC[C@H]5[C@]3(C(CC(=O)N5)Cl)C
InChI	Nicht angegeben

03Stereochemistry

The published structure contains 7 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres7Structure assigned

Unassigned centres1Structure unspecified

Assignment statusPartially assignedExact published identity

Tetrahedral upper bound≤ 256Before symmetry reduction

Published same-connectivity configurations

2 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.