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Substance Name: CO-122739 Free acid
RN: 749185-35-1
UNII: 2DL8Q58L40
InChIKey: JSZXTMCMGNFZDW-VQOUBXEKSA-N

Molecular Formula

  • C22-H36-O5-S2

Molecular Weight

  • 444.6534
 
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Names and Synonyms

Name of Substance

  • CO-122739 Free acid

Synonyms

  • CO-122739 Free acid
  • Pregnan-20-one, 3-hydroxy-3-methyl-21-(sulfothio)-, (3alpha,5alpha)-
  • UNII-2DL8Q58L40

Registry Numbers

CAS Registry Number

  • 749185-35-1

FDA UNII

  • 2DL8Q58L40

System Generated Number

  • 0749185351

Structure Descriptors

InChI

1S/C22H36O5S2/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)/t14-,15-,16-,17-,18+,20+,21-,22-/m0/s1

InChIKey

JSZXTMCMGNFZDW-VQOUBXEKSA-N

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