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Substance Name: Urea, 3-benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-
RN: 113367-98-9
InChIKey: YQNNMFAGCXIKDR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H15-N7-O2-S

Molecular Weight

  • 369.4075
 
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Names and Synonyms

Synonyms

  • 3-Benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thiourea
  • Thiourea, N-(imino((5-nitro-1H-benzimidazol-2-yl)amino)methyl)-N'-(phenylmethyl)-

Systematic Name

  • Urea, 3-benzyl-1-((5-nitro-2-benzimidazolyl)amidino)-2-thio-

Registry Numbers

CAS Registry Number

  • 113367-98-9

System Generated Number

  • 0113367989

Structure Descriptors

InChI

1S/C16H15N7O2S/c17-14(22-16(26)18-9-10-4-2-1-3-5-10)21-15-19-12-7-6-11(23(24)25)8-13(12)20-15/h1-8H,9H2,(H5,17,18,19,20,21,22,26)

InChIKey

YQNNMFAGCXIKDR-UHFFFAOYSA-N

Smiles

c1ccc(cc1)CNC(=S)NC(=N)Nc2[nH]c3ccc(cc3n2)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 800mg/kg (800mg/kg)   Indian Journal of Pharmaceutical Sciences. Vol. 49, Pg. 175, 1987.
mouse LD50 oral 1800mg/kg (1800mg/kg)   Indian Journal of Pharmaceutical Sciences. Vol. 49, Pg. 175, 1987.