Identiteet

Dutasteride EP Impurity A

CAS 104239-97-6 · C19H27NO3

01Identiteet

Lazychem IDLC-13637
CAS RN104239-97-6
PubChem CID9839970
Molecular formulaC19H27NO3
Molecular weight317.42 g/mol
IUPAC name3-Oxo-4-aza-5α-αndrost-1-ene-17β-carboxylic Acid
InChIKeyFDESQZBVTKLIQN-MLGOENBGSA-N

02Struktuur ja stereokeemia

2D structurePubChem CID 9839970
Two-dimensional chemical structure of Dutasteride EP Impurity A, CAS 104239-97-6
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
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)O)CC[C@@H]4[C@@]3(C=CC(=O)N4)C
InChIPole loetletud

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.

04Staatus Indias

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

05Nimed ja seosed

API ja lähteravim

Dutasteride

Lisandid ja seotud ühendid

Nimed ja seosed

  • (4aR,4bS,6aS,7S,9aS,9bS,11aR)-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-4a,6a-dimethyl-2-oxo-1H-indeno[5,4-f]quinoline-7-carboxylic Acid
  • Dutasteride Acid

Lisandid ja seotud ühendid

06Allikad