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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-(bis(phenylmethyl)amino)-1,3,7-trimethyl-
RN: 130216-53-4
InChIKey: RELWZSIMCNXVCC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H23-N5-O2

Molecular Weight

  • 389.457
 
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Names and Synonyms

Synonyms

  • 0-26-00-00590 (Beilstein Handbook Reference)
  • 3,7-Dihydro-8-(bis(phenylmethyl)amino)-1,3,7-trimethyl-1H-purine-2,6-dione
  • 8-N,N-Dibenzylaminocaffeine
  • BRN 0358935

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 130216-53-4

System Generated Number

  • 0130216534

Structure Descriptors

InChI

1S/C22H23N5O2/c1-24-18-19(25(2)22(29)26(3)20(18)28)23-21(24)27(14-16-10-6-4-7-11-16)15-17-12-8-5-9-13-17/h4-13H,14-15H2,1-3H3

InChIKey

RELWZSIMCNXVCC-UHFFFAOYSA-N

Smiles

n1(c(=O)n(C)c2nc(N(Cc3ccccc3)Cc3ccccc3)n(C)c2c1=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.