Identidade

Digoxin EP Impurity C/ Digoxigenin

CAS 1672-46-4 · C23H34O5

01Identidade

Lazychem IDLC-12924
CAS RN1672-46-4
PubChem CID15478
Molecular formulaC23H34O5
Molecular weight390.51 g/mol
IUPAC name3β,12β,14-Trihydroxy-5β-card-20(22)-enolide
InChIKeySHIBSTMRCDJXLN-KCZCNTNESA-N

02Estrutura e estereoquímica

2D structurePubChem CID 15478
Two-dimensional chemical structure of Digoxin EP Impurity C/ Digoxigenin, CAS 1672-46-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aliphatic carbon, has 9 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres9
Ring count5
Secondary amines0
Tertiary amines0
SMILESC[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2C[C@H]([C@]4([C@@]3(CC[C@@H]4C5=CC(=O)OC5)O)C)O)O
InChINão indicado

03Stereochemistry

The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres9Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 512Before 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.

04Estado na Índia

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

05Nomes e relações

API e fármaco de origem

Digoxin

Impurezas e compostos relacionados

Nomes e relações

  • Digoxin EP Impurity C
  • Digoxigenin
  • 1672-46-4
  • Digoxigenine
  • Lanadigenin
  • DTXSID6051778
  • NQ1SX9LNAU
  • CHEBI:42098
  • Card-20(22)-enolide, 3,12,14-trihydroxy-, (3beta,5beta,12beta)-
  • 3beta,12beta,14-trihydroxy-5beta-card-20(22)-enolide
  • 3-[(3S,5R,8R,9S,10S,12R,13S,14S,17R)-3,12,14-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
  • DTXCID9030333

Impurezas e compostos relacionados

06Fontes