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Substance Name: Ethanethioic acid, ((2,4,6-trimethylphenyl)amino)-, S-1H-benzimidazol-2-yl ester
RN: 83408-80-4
InChIKey: KLUGODCRFQVLLB-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H19-N3-O-S

Molecular Weight

  • 325.4341
 
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Names and Synonyms

Synonyms

  • ((2,4,6-Trimethylphenyl)amino)ethanethioic acid S-1H-benzimidazol-2-yl ester
  • BRN 4537801

Systematic Name

  • Ethanethioic acid, ((2,4,6-trimethylphenyl)amino)-, S-1H-benzimidazol-2-yl ester

Registry Numbers

CAS Registry Number

  • 83408-80-4

System Generated Number

  • 0083408804

Structure Descriptors

InChI

1S/C18H19N3OS/c1-11-8-12(2)17(13(3)9-11)19-10-16(22)23-18-20-14-6-4-5-7-15(14)21-18/h4-9,19H,10H2,1-3H3,(H,20,21)

InChIKey

KLUGODCRFQVLLB-UHFFFAOYSA-N

Smiles

Cc1cc(c(c(c1)C)NCC(=O)Sc2[nH]c3ccccc3n2)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1gm/kg (1000mg/kg)   Indian Journal of Chemistry, Section B: Organic Chemistry, Including Medicinal Chemistry. Vol. 21, Pg. 379, 1982.