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Substance Name: 1H-1,2,4-Triazole-3,5-diamine, 1-methyl-N(sup 5)-(4-((4-(1-piperidinylmethyl)-2-pyridinyl)oxy)-2-butenyl)-, (Z)-
RN: 103922-48-1
InChIKey: DBDUNGSZHNYNBZ-UTCJRWHESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H27-N7-O

Molecular Weight

  • 357.4593
 
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Names and Synonyms

  • 1H-1,2,4-Triazole-3,5-diamine, 1-methyl-N(sup 5)-(4-((4-(1-piperidinylmethyl)-2-pyridinyl)oxy)-2-butenyl)-, (Z)-

Registry Numbers

CAS Registry Number

  • 103922-48-1

System Generated Number

  • 0103922481

Structure Descriptors

InChI

1S/C18H27N7O/c1-24-17(19)22-18(23-24)21-8-3-6-12-26-16-13-15(7-9-20-16)14-25-10-4-2-5-11-25/h3,6-7,9,13H,2,4-5,8,10-12,14H2,1H3,(H3,19,21,22,23)/b6-3-

InChIKey

DBDUNGSZHNYNBZ-UTCJRWHESA-N

Smiles

Cn1c(nc(n1)NC/C=C\COc2cc(ccn2)CN3CCCCC3)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1500mg/kg (1500mg/kg)   United States Patent Document. Vol. #4710498,