化学标识

Androstandionic Impurity

CAS 85234-64-6 · C23H30O5

01化学标识

Lazychem IDLC-06379
CAS RN85234-64-6
PubChem CID131668294
Molecular formulaC23H30O5
Molecular weight386.49 g/mol
IUPAC name(11β,16α)-11-Hydroxy-16-(1-oxobutoxy)-androsta-1,4-diene-3,17-dione
InChIKeyGOJZZYSAJXCRGI-KXGXINSVSA-N

02结构与立体化学

2D structurePubChem CID 131668294
Two-dimensional chemical structure of Androstandionic Impurity, CAS 85234-64-6
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
SMILESCCCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2(C1=O)C)O)C
InChI未列出

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.

04印度监管状态

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

05名称与关联

原料药与母体药物

Budesonide

杂质与相关化合物

名称与关联

  • (11b,16a)-11-Hydroxy-16-(1-oxobutoxy)-androsta-1,4-diene-3,17-dione
  • 85234-64-6
  • UNII-PQ6YR237PB
  • PQ6YR237PB
  • Androsta-1,4-diene-3,17-dione, 11-hydroxy-16-(1-oxobutoxy)-, (11beta,16alpha)-
  • Budesonide Impurity 21
  • (11beta,16alpha)-11-Hydroxy-16-(1-oxobutoxy)androsta-1,4-diene-3,17-dione
  • [(8S,9S,10R,11S,13S,14S,16R)-11-hydroxy-10,13-dimethyl-3,17-dioxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-16-yl] butanoate
  • 11beta,16alpha-Dihydroxyandrosta-1,4-diene-3,17-dione 16-Butyrate
  • Androsta-1,4-diene-3,17-dione, 11-hydroxy-16-(1-oxobutoxy)-, (11ss,16a)-
  • (11ss,16a)-11-Hydroxy-16-(1-oxobutoxy)androsta-1,4-diene-3,17-dione
  • 11ss,16a-Dihydroxyandrosta-1,4-diene-3,17-dione 16-Butyrate

杂质与相关化合物

06来源