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Substance Name: 2-((2-Dimethylaminobenzyl)sulfinyl)benzimidazole
RN: 100924-68-3
InChIKey: JVIHSTYYPRUSFG-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H17-N3-O-S

Molecular Weight

  • 299.396
 
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Names and Synonyms

Name of Substance

  • 2-((2-Dimethylaminobenzyl)sulfinyl)benzimidazole

Synonyms

  • 2-((1H-Benzimidazol-2-ylsulfinyl)methyl)-N,N-dimethylbenzenamine
  • BRN 6523178
  • NC 1300

Systematic Name

  • Benzenamine, 2-((1H-benzimidazol-2-ylsulfinyl)methyl)-N,N-dimethyl-

Registry Numbers

CAS Registry Number

  • 100924-68-3

System Generated Number

  • 0100924683

Structure Descriptors

InChI

1S/C16H17N3OS/c1-19(2)15-10-6-3-7-12(15)11-21(20)16-17-13-8-4-5-9-14(13)18-16/h3-10H,11H2,1-2H3,(H,17,18)

InChIKey

JVIHSTYYPRUSFG-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)[nH]c([S@@](Cc1c(cccc1)N(C)C)=O)n2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 410mg/kg (410mg/kg)   United States Patent Document. Vol. #5037830,
mouse LD50 oral > 1gm/kg (1000mg/kg)   United States Patent Document. Vol. #5037830,
rat LD50 intraperitoneal 245mg/kg (245mg/kg)   United States Patent Document. Vol. #5037830,
rat LD50 oral 1300mg/kg (1300mg/kg)   United States Patent Document. Vol. #5037830,