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Substance Name: CO-122739
RN: 171493-96-2
UNII: 0YTX3C643G
InChIKey: GEUAPBGNNDAYOF-XCSLDGFESA-M

Molecular Formula

  • C22-H35-O5-S2.Na

Molecular Weight

  • 466.6355
 
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Names and Synonyms

Name of Substance

  • CO-122739

Synonyms

  • CO-122739
  • Pregnan-20-one, 3-hydroxy-3-methyl-21-(sulfothio)-, monosodium salt, (3alpha,5alpha)-
  • UNII-0YTX3C643G

Registry Numbers

CAS Registry Number

  • 171493-96-2

FDA UNII

  • 0YTX3C643G

System Generated Number

  • 0171493962

Structure Descriptors

InChI

1S/C22H36O5S2.Na/c1-20(24)10-11-21(2)14(12-20)4-5-15-16-6-7-18(19(23)13-28-29(25,26)27)22(16,3)9-8-17(15)21;/h14-18,24H,4-13H2,1-3H3,(H,25,26,27);/q;+1/p-1/t14-,15-,16-,17-,18+,20+,21-,22-;/m0./s1

InChIKey

GEUAPBGNNDAYOF-XCSLDGFESA-M

Smiles

C[C@]1(CC[C@]2([C@H](C1)CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4C(=O)CSS(=O)(=O)[O-])C)C)O.[Na+]