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Substance Name: 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate
RN: 135445-98-6
InChIKey: NHSJQZVUAOVWLP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H16-N6-O.H2-O

Molecular Weight

  • 356.3874
 
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Names and Synonyms

Synonyms

  • 6,9-Dihydro-3-phenyl-9-methyl-6-benzyl-5H-1,2,4-triazolo(3,4-i)purin-5-one hydrate
  • 9-Methyl-3-phenyl-6-(phenylmethyl)-6,9-dihydro-5H-1,2,4-triazolo(3,4-i)purin-5-one hydrate

Systematic Name

  • 5H-1,2,4-Triazolo(3,4-i)purin-5-one, 6,9-dihydro-9-methyl-3-phenyl-6-(phenylmethyl)-, hydrate

Registry Numbers

CAS Registry Number

  • 135445-98-6

System Generated Number

  • 0135445986

Molecular Formulas

Molecular Formula

  • C20-H16-N6-O.H2-O

Molecular Formula Fragments

  • C20-H16-N6-O
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C20H16N6O/c1-24-13-21-18-16(24)19-23-22-17(15-10-6-3-7-11-15)26(19)20(27)25(18)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3

InChIKey

NHSJQZVUAOVWLP-UHFFFAOYSA-N

Smiles

Cn1cnc2c1c3nnc(n3c(=O)n2Cc4ccccc4)c5ccccc5

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 300mg/kg (300mg/kg)   United States Patent Document. Vol. #5173492,