Chemical identity

4,5 alpha-Epoxy Eplerenone

CAS 209253-73-6 · C24H30O7

01Identity

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

Lazychem IDLC-03273
PubChem CID169439789
Name4,5 alpha-Epoxy Eplerenone
CAS RN209253-73-6
Molecular formulaC24H30O7
Molecular weight430.49 g/mol
IUPAC name(1aS,2R,4aS,4bR,5aR,6aS,10R,11aS)-methyl 4a,6a-dimethyl-2,5-dioxohexadecahydro-3H-spiro[cyclopenta[7,8]phenanthro[1,10a-b:4b,5-b]bis(oxirene)-7,2-furan]-10-carboxylate
InChIKeyUUMOKVKVTZXGNO-NMIPICBHSA-N

02Structure identifiers

2D structurePubChem CID 169439789
2D structure: 4,5 alpha-Epoxy Eplerenone, CAS 209253-73-6
Structure of 4,5 alpha-Epoxy Eplerenone (CAS 209253-73-6). LazyChem record. Source identity: PubChem CID 169439789. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC24H30O7
InChIKeyUUMOKVKVTZXGNO-NMIPICBHSA-N
Ring count7
Defined stereocentres10
Unassigned stereocentres0
SMILESC[C@]12CCC(=O)[C@@H]3[C@]1(O3)C[C@H]([C@@H]4[C@]25[C@H](O5)C[C@]6([C@H]4CC[C@@]67CCC(=O)O7)C)C(=O)OC
InChIInChI=1S/C24H30O7/c1-20-11-15-24(29-15)17(13(20)4-8-22(20)9-6-16(26)30-22)12(19(27)28-3)10-23-18(31-23)14(25)5-7-21(23,24)2/h12-13,15,17-18H,4-11H2,1-3H3/t12-,13+,15-,17+,18-,20+,21+,22-,23-,24-/m1/s1

03Stereochemistry

The published structure contains 10 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres102D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 1,024Before symmetry reduction

Published same-connectivity configurations

2 records

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.

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 209253-73-6 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 209253-73-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Eplerenone

View API and impurity family

Other names

  • 4,5Alpha-Epoxy Eplerenone
  • 4,5?-Epoxy Eplerenone
  • 4,5
  • A-Epoxy Eplerenone
  • Eplerenone 4,5-Epoxy analog
  • methyl (1aS,4aS,4bR,5aR,6aS,7R,9aS,9bR,10R,11aS)-4a,6a-dimethyl-2,5'-dioxotetradecahydro-3H,3'H,11H-spiro[cyclopenta[7,8]phenanthro[1,10a-b:4b,5-b']bis(oxirene)-7,2'-furan]-10-carboxylate
  • Pregnane-7,21-dicarboxylic acid, 4,5:9,11-diepoxy-17-hydroxy-3-oxo-, gamma-lactone, methyl ester, (4alpha,5alpha,7alpha,11alpha,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