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Substance Name: Methanethiol, N-(2-(3-indolyl)ethyl)amidino-, hydrogen thiosulfate
RN: 13338-54-0
InChIKey: HSJUJKKYLDNMMW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-N3-O3-S2

Molecular Weight

  • 313.401
 
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Names and Synonyms

Synonyms

  • BRN 0495165
  • S-((N-(2-(3-Indolyl)ethyl)amidino)methyl) hydrogen thiosulfate

Systematic Name

  • Methanethiol, N-(2-(3-indolyl)ethyl)amidino-, hydrogen thiosulfate

Registry Numbers

CAS Registry Number

  • 13338-54-0

System Generated Number

  • 0013338540

Structure Descriptors

InChI

1S/C12H15N3O3S2/c13-12(8-19-20(16,17)18)14-6-5-9-7-15-11-4-2-1-3-10(9)11/h1-4,7,15H,5-6,8H2,(H2,13,14)(H,16,17,18)

InChIKey

HSJUJKKYLDNMMW-UHFFFAOYSA-N

Smiles

S(SC\C(=N\CCc1c[nH]c2c1cccc2)N)(=O)(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 180mg/kg (180mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.
mouse LD50 oral 600mg/kg (600mg/kg)   Journal of Medicinal Chemistry. Vol. 15, Pg. 1313, 1972.