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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-((phenylmethyl)amino)-1,3,7-trimethyl-
RN: 130187-58-5
InChIKey: LBVXMQUYMRVXIJ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C15-H17-N5-O2

Molecular Weight

  • 299.332
 
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Names and Synonyms

Synonyms

  • 0-26-00-00531 (Beilstein Handbook Reference)
  • 3,7-Dihydro-8-((phenylmethyl)amino)-1,3,7-trimethyl-1H-purine-2,6-dione
  • 8-N-Benzylaminocaffeine
  • BRN 0385265

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-((phenylmethyl)amino)-1,3,7-trimethyl-

Registry Numbers

CAS Registry Number

  • 130187-58-5

System Generated Number

  • 0130187585

Structure Descriptors

InChI

1S/C15H17N5O2/c1-18-11-12(19(2)15(22)20(3)13(11)21)17-14(18)16-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,16,17)

InChIKey

LBVXMQUYMRVXIJ-UHFFFAOYSA-N

Smiles

n1(c(c2n(C)c(NCc3ccccc3)nc2n(c1=O)C)=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 2gm/kg (2000mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 41, Pg. 385, 1989.