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Substance Name: Thiosulfuric acid, S-(2-(((3-(4-methylphenyl)tricyclo(3.3.1.1(sup 3,7))dec-1-yl)methyl)amino)-2-iminoethyl) ester
RN: 117101-76-5
InChIKey: WQKYMCOBOFMBMK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H28-N2-O3-S2

Molecular Weight

  • 408.584
 
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Names and Synonyms

Synonyms

  • BRN 5162791
  • N-(3-(4-Tolyl)adamant-1-ylmethyl)acetamidinothiosulfuric acid

Systematic Name

  • Thiosulfuric acid, S-(2-(((3-(4-methylphenyl)tricyclo(3.3.1.1(sup 3,7))dec-1-yl)methyl)amino)-2-iminoethyl) ester

Registry Numbers

CAS Registry Number

  • 117101-76-5

System Generated Number

  • 0117101765

Structure Descriptors

InChI

1S/C20H28N2O3S2/c1-14-2-4-17(5-3-14)20-9-15-6-16(10-20)8-19(7-15,12-20)13-22-18(21)11-26-27(23,24)25/h2-5,15-16H,6-13H2,1H3,(H2,21,22)(H,23,24,25)

InChIKey

WQKYMCOBOFMBMK-UHFFFAOYSA-N

Smiles

C1C2(CC3(C[C@@H]1C[C@@H](C2)C3)CNC(CSS(O)(=O)=O)=N)c1ccc(cc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 8mg/kg (8mg/kg)   Pharmaceutical Chemistry Journal Vol. 27, Pg. 585, 1993.