Chemical identity

Spironolactone EP Impurity F

CAS 976-71-6 · C₂₂H₂₈O₃

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-28418
PubChem CID13789
NameSpironolactone EP Impurity F
CAS RN976-71-6
Molecular formulaC₂₂H₂₈O₃
Molecular weight340.46 g/mol
IUPAC name(2′R)-3′,4′-Dihydro-5′H-spiro[androst-4,6-diene-17,2′-furan]-3,5′-dione
InChIKeyUJVLDDZCTMKXJK-WNHSNXHDSA-N

02Structure identifiers

2D structurePubChem CID 13789
2D structure: Spironolactone EP Impurity F, CAS 976-71-6
Structure of Spironolactone EP Impurity F (CAS 976-71-6). LazyChem record. Source identity: PubChem CID 13789. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC₂₂H₂₈O₃
InChIKeyUJVLDDZCTMKXJK-WNHSNXHDSA-N
Ring count5
Defined stereocentres6
Unassigned stereocentres0
SMILESC[C@]12CCC(=O)C=C1C=C[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]45CCC(=O)O5)C
InChIInChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres62D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before 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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNOT FOUND IN REVIEWED ENTRIESCAS 976-71-6 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 976-71-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Spironolactone

View API and impurity family

Other names

  • Spironolactone Related Compound A/ Spironolactone BP Impurity F/ Eplerenone Canrenone Impurity/ Canrenone
  • Canrenone
  • Aldadiene
  • SC-9376
  • Canrenonum
  • Spironolactone metabolite m1
  • Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, gamma-lactone (17alpha)-

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources