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Substance Name: 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (-)-
RN: 66641-87-0
InChIKey: RMSUDMYHJUBJNS-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H16-N2-O-S.Cl-H

Molecular Weight

  • 344.8643
 
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Names and Synonyms

Synonym

  • (-)-S-Phenyl, 3-(alpha-methylbenzyl)-4-imidazolethiocarboxylate hydrochloride

Systematic Name

  • 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-phenyl ester, hydrochloride, (-)-

Registry Numbers

CAS Registry Number

  • 66641-87-0

System Generated Number

  • 0066641870

Molecular Formulas

Molecular Formula

  • C18-H16-N2-O-S.Cl-H

Molecular Formula Fragments

  • C18-H16-N2-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C18H16N2OS.ClH/c1-14(15-8-4-2-5-9-15)20-13-19-12-17(20)18(21)22-16-10-6-3-7-11-16;/h2-14H,1H3;1H

InChIKey

RMSUDMYHJUBJNS-UHFFFAOYSA-N

Smiles

CC(c1ccccc1)n2cncc2C(=O)Sc3ccccc3.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 260mg/kg (260mg/kg)   Russian Pharmacology and Toxicology Vol. 41, Pg. 82, 1978.