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Substance Name: Thiosulfuric acid, S-(2-(((3-(4-hydroxyphenyl)tricyclo(3.3.1.1(sup 3,7))dec-1-yl)methyl)amino)-2-iminoethyl) ester
RN: 155622-16-5
InChIKey: QDQJLUNBCXGVCS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H26-N2-O4-S2

Molecular Weight

  • 410.5564
 
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Names and Synonyms

Synonym

  • N-(3-(4-Hydroxyphenyl)adamant-1-ylmethyl)acetamidinothiosulfuric acid

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 155622-16-5

System Generated Number

  • 0155622165

Structure Descriptors

InChI

1S/C19H26N2O4S2/c20-17(10-26-27(23,24)25)21-12-18-6-13-5-14(7-18)9-19(8-13,11-18)15-1-3-16(22)4-2-15/h1-4,13-14,22H,5-12H2,(H2,20,21)(H,23,24,25)

InChIKey

QDQJLUNBCXGVCS-UHFFFAOYSA-N

Smiles

c1cc(ccc1C23CC4CC(C2)CC(C4)(C3)CNC(=N)CSS(=O)(=O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 74mg/kg (74mg/kg)   Pharmaceutical Chemistry Journal Vol. 27, Pg. 585, 1993.