Chemical identity

21-Hydroxy Eplerenone

CAS 334678-67-0 · C24H30O7

01Identity

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

Lazychem IDLC-04312
PubChem CID91810647
Name21-Hydroxy Eplerenone
CAS RN334678-67-0
Molecular formulaC24H30O7
Molecular weight430.50 g/mol
IUPAC name(2'R,4aS,4bR,5aR,6aS,10R)-methyl 4'-hydroxy-4a,6a-dimethyl-2,5'-dioxo-3,4,4a,4',5a,5',6,6a,8,9,9a,9b,10,11-tetradecahydro-2H,3'H-spiro[cyclopenta[1,2]phenanthro[4,4a-b]oxirene-7,2'-furan]-10-carboxylate
InChIKeyTVCONGKEWSYBKD-NBACNWMZSA-N

02Structure identifiers

2D structurePubChem CID 91810647
2D structure: 21-Hydroxy Eplerenone, CAS 334678-67-0
Structure of 21-Hydroxy Eplerenone (CAS 334678-67-0). LazyChem record. Source identity: PubChem CID 91810647. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC24H30O7
InChIKeyTVCONGKEWSYBKD-NBACNWMZSA-N
Ring count6
Defined stereocentres8
Unassigned stereocentres1
SMILESC[C@]12CCC(=O)C=C1C[C@H]([C@@H]3[C@]24[C@H](O4)C[C@]5([C@H]3CC[C@@]56CC(C(=O)O6)O)C)C(=O)OC
InChIInChI=1S/C24H30O7/c1-21-6-4-13(25)8-12(21)9-14(19(27)29-3)18-15-5-7-23(10-16(26)20(28)31-23)22(15,2)11-17-24(18,21)30-17/h8,14-18,26H,4-7,9-11H2,1-3H3/t14-,15+,16?,17-,18+,21+,22+,23-,24-/m1/s1

03Stereochemistry

The published structure contains 8 defined and 1 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres82D structure
Unassigned stereocentres12D structure
Assignment statusPartially 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.

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 334678-67-0 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 334678-67-0 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

  • 21-Hydroxyeplerenone (α, β mixture)
  • 9,11α-epoxy-17α,21-dihydroxy-3-oxo-pregn-4-ene-7α,21-dicarboxylic acid, γ-lactone, methyl ester
  • Pregn-4-ene-7,21-dicarboxylic acid, 9,11-epoxy-17,21-dihydroxy-3-oxo-, γ-lactone, methyl ester, (7α,11α,17α)-
  • UNII-87R014GSYH
  • Pregn-4-ene-7,21-dicarboxylic acid, 9,11-epoxy-17,21-dihydroxy-3-oxo-, gamma-lactone, methyl ester, (7alpha,11alpha,17alpha)-
  • methyl (1R,2S,9R,10R,11S,14R,15S,17R)-4'-hydroxy-2,15-dimethyl-5,5'-dioxospiro[18-oxapentacyclo[8.8.0.01,17.02,7.011,15]octadec-6-ene-14,2'-oxolane]-9-carboxylate
  • 21-Hydroxyeplerenone (a, b mixture)
  • (7alpha,11alpha,17alpha)-9,11-Epoxy-17,21-dihydroxy-3-oxo-gamma-lactone Methyl Ester Pregn-4-ene-7,21-dicarboxylic Acid

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