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Substance Name: Thiosulfuric acid, S-(2-(((3-beta,5-alpha,17-beta)-3-hydroxyandrostan-17-yl)amino)-2-oxoethyl)ester, monosodium salt
RN: 114967-83-8
InChIKey: UMBLPAAWSVLYME-VQNJEPEBSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H34-N-O5-S2.Na

Molecular Weight

  • 467.6236
 
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Names and Synonyms

Synonym

  • Sodium N-(3-beta-hydroxy-5-alpha-androstanyl)-17-beta-amino(alpha-oxoethyl)thiosulfate

Systematic Name

  • Thiosulfuric acid, S-(2-(((3-beta,5-alpha,17-beta)-3-hydroxyandrostan-17-yl)amino)-2-oxoethyl)ester, monosodium salt

Registry Numbers

CAS Registry Number

  • 114967-83-8

System Generated Number

  • 0114967838

Molecular Formulas

Molecular Formula

  • C21-H34-N-O5-S2.Na

Molecular Formula Fragments

  • C21-H34-N-O5-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H35NO5S2.Na/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(21(16,2)10-8-17(15)20)22-19(24)12-27-29(25,26)28;/h13-18,23H,3-12H2,1-2H3,(H,22,24)(H,25,26,28);/q;+1/p-1/t13-,14-,15?,16-,17?,18-,20-,21-;/m0./s1

InChIKey

UMBLPAAWSVLYME-VQNJEPEBSA-M

Smiles

C[C@]12CC[C@@H](C[C@@H]1CCC3C2CC[C@]4([C@H]3CC[C@@H]4NC(=O)COS(=O)(=S)[O-])C)O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 650mg/kg (650mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 207, 1988.