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Substance Name: 4-Imidazolethiocarboxylic acid, 3-(alpha-methylbenzyl)-, S-ethyl ester, hydrochloride, (+-)-
RN: 66641-83-6
InChIKey: WEXCUWVJWYEPCV-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-N2-O-S.Cl-H

Molecular Weight

  • 296.8203
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 66641-83-6

System Generated Number

  • 0066641836

Molecular Formulas

Molecular Formula

  • C14-H16-N2-O-S.Cl-H

Molecular Formula Fragments

  • C14-H16-N2-O-S
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C14H16N2OS.ClH/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12;/h4-11H,3H2,1-2H3;1H

InChIKey

WEXCUWVJWYEPCV-UHFFFAOYSA-N

Smiles

CCSC(=O)c1cncn1C(C)c2ccccc2.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 238mg/kg (238mg/kg)   Russian Pharmacology and Toxicology Vol. 41, Pg. 82, 1978.