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Substance Name: Cicloxolone sodium
RN: 52048-39-2
UNII: 3W80D7J7L2
InChIKey: YWHBTCAXYRPEKD-IVZDVHJXSA-L

Molecular Formula

  • C38-H54-O7.3Na

Molecular Weight

  • 691.8076
 
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Names and Synonyms

Name of Substance

  • Cicloxolone sodium

Synonyms

  • 18beta-Glycyrrhetinic acid hydrogen (1R)-cis-cyclohexane-1,2-dicarboxylate
  • Cicloxolone sodium
  • Olean-12-en-29-oic acid, 3-((((1R,2S)-2-carboxycyclohexyl)carbonyl)oxy)-11-oxo-, sodium salt (1:2), (3beta,20beta)-
  • Olean-12-en-29-oic acid, 3-(((2-carboxycyclohexyl)carbonyl)oxy)-11-oxo-, disodium salt, (3beta(cis),20beta)-
  • UNII-3W80D7J7L2

Registry Numbers

CAS Registry Number

  • 52048-39-2

FDA UNII

  • 3W80D7J7L2

System Generated Number

  • 0052048392

Structure Descriptors

InChI

1S/C38H56O7.3Na/c1-33(2)27-12-15-38(7)29(36(27,5)14-13-28(33)45-31(42)23-11-9-8-10-22(23)30(40)41)26(39)20-24-25-21-35(4,32(43)44)17-16-34(25,3)18-19-37(24,38)6;;;/h20,22-23,25,27-29H,8-19,21H2,1-7H3,(H,40,41)(H,43,44);;;/q;3*+1/p-2/t22?,23?,25-,27-,28-,29+,34+,35-,36-,37+,38+;;;/m0.../s1

InChIKey

YWHBTCAXYRPEKD-IVZDVHJXSA-L

Smiles

C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C6CCCCC6C(=O)[O-])C)(C)C(=O)[O-].[Na+].[Na+].[Na+]