Identitate

Dutasteride Dihydro Impurity

CAS 164656-22-8 · C27H32F6N2O2

01Identitate

Lazychem IDLC-13636
CAS RN164656-22-8
PubChem CID15871205
Molecular formulaC27H32F6N2O2
Molecular weight530.55 g/mol
IUPAC name(5α,17β)-N-[2,5-Bis (trifluoromethyl)phenyl]-3-oxo-4-azaandrostane-17-carboxamide.
InChIKeyAIUHDIPAGREENV-QWBYCMEYSA-N

02Structură și stereochimie

2D structurePubChem CID 15871205
Two-dimensional chemical structure of Dutasteride Dihydro Impurity, CAS 164656-22-8
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 stereocentres7
Ring count5
Secondary amines0
Tertiary amines0
SMILESC[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(CCC(=O)N5)C
InChINu este indicat

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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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.

04Statut în India

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

05Denumiri și relații

API și medicament părinte

Dutasteride

Impurități și compuși înrudiți

Denumiri și relații

  • 1,2-Dihydrodutasteride
  • 164656-22-8
  • Dihydrodutasteride
  • Y7B42KG7F8
  • GI201448X
  • UNII-Y7B42KG7F8
  • DIHYDRODUTASTERIDE [USP-RS]
  • 1H-Indeno(5,4-F)quinoline-7-carboxamide, N-(2,5-bis(trifluoromethyl)phenyl)hexadecahydro-4a,6a-dimethyl-2-oxo-, (4aR,4bS,6aS,7S,9aS,9bS,11aR)-
  • N-(2,5-Bis(trifluoromethyl)phenyl)-3-oxo-4-aza-5alpha-androstane-17beta-carboxamide
  • RefChem:196710
  • (1S,3aS,3bS,5aR,9aR,9bS,11aS)-N-[2,5-bis(trifluoromethyl)phenyl]-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
  • N-[2,5-Bis(trifluoromethyl)phenyl]-3-oxo-4-aza-5?-androstane-17?-carboxamide (Dihydrodutasteride)

Impurități și compuși înrudiți

06Surse