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Substance Name: Thiosulfuric acid (H2S2O3), S-(2-imino-2-((2-(tricyclo(3.3.1.13,7)dec-1-yloxy)ethyl)amino)ethyl) ester
RN: 30771-84-7
InChIKey: RJBKFTRMYQORAZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H24-N2-O4-S2

Molecular Weight

  • 348.486
 
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Names and Synonyms

Synonyms

  • BRN 3997583
  • S-((N-(2-(1-Adamantyloxy)ethyl)amidino)methyl) hydrogen thiosulfate
  • WR 145040

Systematic Names

  • Thiosulfuric acid (H2S2O3), S-(2-imino-2-((2-(tricyclo(3.3.1.13,7)dec-1-yloxy)ethyl)amino)ethyl) ester
  • Thiosulfuric acid, S-ester with N-(2-(1-adamantyloxy)ethyl)-2-mercaptoacetamidine

Registry Numbers

CAS Registry Number

  • 30771-84-7

System Generated Number

  • 0030771847

Structure Descriptors

InChI

1S/C14H24N2O4S2/c15-13(9-21-22(17,18)19)16-1-2-20-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,1-9H2,(H2,15,16)(H,17,18,19)

InChIKey

RJBKFTRMYQORAZ-UHFFFAOYSA-N

Smiles

C1C2CC3(OCCNC(CSS(O)(=O)=O)=N)CC1CC(C2)C3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.