Identität

Dutasteride EP Impurity C / Dutasteride Ethyl Ester

CAS 157307-36-3 · C21H31NO3

01Identität

Lazychem IDLC-13639
CAS RN157307-36-3
PubChem CID131699180
Molecular formulaC21H31NO3
Molecular weight345.48 g/mol
IUPAC nameEthyl 3-oxo-4-aza-5α-androst-1-ene-17β-carboxylate
InChIKeyAHSRUURQZYMTKR-ICVGDBTHSA-N

02Struktur und Stereochemie

2D structurePubChem CID 131699180
Two-dimensional chemical structure of Dutasteride EP Impurity C / Dutasteride Ethyl Ester, CAS 157307-36-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres7
Ring count4
Secondary amines0
Tertiary amines0
SMILESCCOC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(C=CC(=O)N4)C)C
InChINicht angegeben

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.

04Status in Indien

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

05Namen und Beziehungen

API und Ausgangsarzneistoff

Dutasteride

Verunreinigungen und verwandte Verbindungen

Namen und Beziehungen

  • Dutasteride EP Impurity C
  • Dutasteride Impurity C
  • 157307-36-3
  • Dutasteride ethyl ester
  • UNII-0MD9WO44DD
  • 0MD9WO44DD
  • Ethyl 3-Oxo-4-aza-5a-androst-1-ene-17b-carboxylate
  • ethyl 3-oxo-4-aza-5alpha-androst-1-ene-17beta-carboxylate
  • Dutasteride ethyl ester [USP]
  • ethyl (1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-7-oxo-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinoline-1-carboxylate
  • Ethyl (5alpha,17beta)-3-oxo-4-azaandrost-1-ene-17-carboxylate
  • 4-Azaandrost-1-ene-17-carboxylic acid, 3-oxo-, ethyl ester, (5alpha,17beta)-

Verunreinigungen und verwandte Verbindungen

06Quellen