11α-Eplerenone methanesulfonate

CAS Registry Number®

192704-58-8
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CAS Name

11α-Eplerenone methanesulfonate

Molecular Formula

C25H34O8S

Molecular Mass

494.60

Cite this Page

11α-Eplerenone methanesulfonate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=192704-58-8 (retrieved 2024-08-09) (CAS RN: 192704-58-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H34O8S/c1-23-8-5-15(26)11-14(23)12-16(22(28)31-3)20-17-6-9-25(10-7-19(27)32-25)24(17,2)13-18(21(20)23)33-34(4,29)30/h11,16-18,20-21H,5-10,12-13H2,1-4H3/t16-,17+,18-,20+,21+,23+,24+,25-/m1/s1

InChIKey

InChIKey=CKLAKMSTXODAGW-JNAIAPLYSA-N

SMILES

C(OC)(=O)[C@H]1[C@@]2([C@@]([C@]3(C)C(C1)=CC(=O)CC3)([C@H](OS(C)(=O)=O)C[C@@]4(C)[C@]2(CC[C@@]45CCC(=O)O5)[H])[H])[H]

Canonical SMILES

O=C1OC2(CC1)CCC3C4C(C(=O)OC)CC5=CC(=O)CCC5(C)C4C(OS(=O)(=O)C)CC32C

Other Names for this Substance

  • Pregn-4-ene-7,21-dicarboxylic acid, 17-hydroxy-11-[(methylsulfonyl)oxy]-3-oxo-, γ-lactone, methyl ester, (7α,11α,17α)-
  • 11α-Eplerenone methanesulfonate