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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-propyl-, dihydrate
RN: 135445-72-6
InChIKey: BDTCBQIXVHPMKM-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-N6-O.2H2-O

Molecular Weight

  • 308.3434
 
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Names and Synonyms

Synonyms

  • 6,9-Dihydro-9-methyl-3-phenyl-6-n-propyl-5H-1,2,4-triazolo(3,4-i)-5-one dihydrate
  • 9-Methyl-3-phenyl-6-propyl-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-propyl-, dihydrate

Registry Numbers

CAS Registry Number

  • 135445-72-6

System Generated Number

  • 0135445726

Molecular Formulas

Molecular Formula

  • C16-H16-N6-O.2H2-O

Molecular Formula Fragments

  • C16-H16-N6-O
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C16H16N6O/c1-3-9-21-14-12(20(2)10-17-14)15-19-18-13(22(15)16(21)23)11-7-5-4-6-8-11/h4-8,10H,3,9H2,1-2H3

InChIKey

BDTCBQIXVHPMKM-UHFFFAOYSA-N

Smiles

CCCn1c2c(c3nnc(n3c1=O)c4ccccc4)n(cn2)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo oral 100mg/kg (100mg/kg)   United States Patent Document. Vol. #5173492,