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Substance Name: Thiosulfuric acid, S-(2-oxo-2-(((3-beta,5-alpha,17-beta)-17-((sulfothio)acetyl)amino)androstan-3-yl)oxy)ethyl ester, disodium salt
RN: 114967-84-9
InChIKey: MOWPVTHVXZYTGC-YIMAWVIPSA-L

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H35-N-O9-S4.2Na

Molecular Weight

  • 643.7715
 
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Names and Synonyms

  • Thiosulfuric acid, S-(2-oxo-2-(((3-beta,5-alpha,17-beta)-17-((sulfothio)acetyl)amino)androstan-3-yl)oxy)ethyl ester, disodium salt

Registry Numbers

CAS Registry Number

  • 114967-84-9

System Generated Number

  • 0114967849

Molecular Formulas

Molecular Formula

  • C23-H35-N-O9-S4.2Na

Molecular Formula Fragments

  • C23-H35-N-O9-S4
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C23H37NO9S4.2Na/c1-22-9-7-15(33-21(26)12-32-37(30,31)34)11-14(22)3-4-16-17-5-6-19(23(17,2)10-8-18(16)22)24-20(25)13-35-36(27,28)29;;/h14-19H,3-13H2,1-2H3,(H,24,25)(H,27,28,29)(H,30,31,34);;/q;2*+1/p-2/t14-,15-,16?,17-,18?,19-,22-,23-;;/m0../s1

InChIKey

MOWPVTHVXZYTGC-YIMAWVIPSA-L

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 290mg/kg (290mg/kg)   Pharmaceutical Chemistry Journal Vol. 22, Pg. 207, 1988.