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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-8-((phenylmethyl)amino)-
RN: 57000-13-2
InChIKey: FEUMMCAKDXMNOR-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H15-N5-O2

Molecular Weight

  • 285.3055
 
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Names and Synonyms

Synonyms

  • 3,7-Dihydro-1,3-dimethyl-8-((phenylmethyl)amino)-1H-purine-2,6-dione
  • 4-26-00-03981 (Beilstein Handbook Reference)
  • 8-(Benzylamino)theophylline
  • BRN 0309350
  • Theophylline, 8-benzylamino-

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 57000-13-2

System Generated Number

  • 0057000132

Structure Descriptors

InChI

1S/C14H15N5O2/c1-18-11-10(12(20)19(2)14(18)21)16-13(17-11)15-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,15,16,17)

InChIKey

FEUMMCAKDXMNOR-UHFFFAOYSA-N

Smiles

CN1C(=O)N(C)c2[nH]c(NCc3ccccc3)nc2C1=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1340mg/kg (1340mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 27, Pg. 305, 1975.
rat LDLo intraperitoneal 300mg/kg (300mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 33, Pg. 203, 1981.