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Substance Name: Ethanethioic acid, ((2,3-dimethylphenyl)amino)-, S-1H-benzimidazol-2-yl ester
RN: 83408-79-1
InChIKey: GJVFRBQXMNTUTC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H17-N3-O-S

Molecular Weight

  • 311.4073
 
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Names and Synonyms

Synonyms

  • ((2,3-Dimethylphenyl)amino)ethanethioic acid S-1H-benzimidazol-2-yl ester
  • BRN 4534043

Systematic Name

  • Ethanethioic acid, ((2,3-dimethylphenyl)amino)-, S-1H-benzimidazol-2-yl ester

Registry Numbers

CAS Registry Number

  • 83408-79-1

System Generated Number

  • 0083408791

Structure Descriptors

InChI

1S/C17H17N3OS/c1-11-6-5-9-13(12(11)2)18-10-16(21)22-17-19-14-7-3-4-8-15(14)20-17/h3-9,18H,10H2,1-2H3,(H,19,20)

InChIKey

GJVFRBQXMNTUTC-UHFFFAOYSA-N

Smiles

Cc1cccc(c1C)NCC(=O)Sc2[nH]c3ccccc3n2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 500mg/kg (500mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 21, Pg. 379, 1982.