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Substance Name: 1H-1,2,4-Triazole-3,5-diamine, N(sup 5)-(2-(((2-((dimethylamino)methyl)-1H-benzimidazol-5-yl)methyl)thio)ethyl)-1-methyl-
RN: 92715-91-8
InChIKey: MIVHBVKIBUPNQK-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H24-N8-S

Molecular Weight

  • 360.4876
 
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Names and Synonyms

  • 1H-1,2,4-Triazole-3,5-diamine, N(sup 5)-(2-(((2-((dimethylamino)methyl)-1H-benzimidazol-5-yl)methyl)thio)ethyl)-1-methyl-

Registry Numbers

CAS Registry Number

  • 92715-91-8

System Generated Number

  • 0092715918

Structure Descriptors

InChI

1S/C16H24N8S/c1-23(2)9-14-19-12-5-4-11(8-13(12)20-14)10-25-7-6-18-16-21-15(17)22-24(16)3/h4-5,8H,6-7,9-10H2,1-3H3,(H,19,20)(H3,17,18,21,22)

InChIKey

MIVHBVKIBUPNQK-UHFFFAOYSA-N

Smiles

CN(C)Cc1nc2ccc(CSCCNc3nc(N)nn3C)cc2[nH]1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1500mg/kg (1500mg/kg)   United States Patent Document. Vol. #4550118,