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Substance Name: Ethanethiol, 2-(1-(p-methoxybenzyl)propyl)amino-, hydrogen thiosulfate
RN: 38914-79-3
InChIKey: VIPWJDISTQDBED-LBPRGKRZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H21-N-O4-S2

Molecular Weight

  • 319.4439
 
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Names and Synonyms

Synonyms

  • BRN 2992938
  • S-2-((1-(p-Methoxybenzyl)propyl)amino)ethyl hydrogen thiosulfate

Systematic Name

  • Ethanethiol, 2-(1-(p-methoxybenzyl)propyl)amino-, hydrogen thiosulfate

Registry Numbers

CAS Registry Number

  • 38914-79-3

System Generated Number

  • 0038914793

Structure Descriptors

InChI

1S/C13H21NO4S2/c1-3-12(14-8-9-18-20(15,16)19)10-11-4-6-13(17-2)7-5-11/h4-7,12,14H,3,8-10H2,1-2H3,(H,15,16,19)/t12-/m0/s1

InChIKey

VIPWJDISTQDBED-LBPRGKRZSA-N

Smiles

CC[C@@H](Cc1ccc(cc1)OC)NCCOS(=O)(=S)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 130mg/kg (130mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 976, 1972.