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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-((phenylmethyl)amino)-
RN: 78740-20-2
InChIKey: QKNAVASCRUCJEC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H21-N5-O4

Molecular Weight

  • 359.3839
 
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Names and Synonyms

Synonyms

  • 3,7-Dihydro-7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-((phenylmethyl)amino)-1H-purine-2,6-dione
  • 7-(2,3-Dihydroxypropyl)-8-benzylaminotheophylline
  • BRN 5643857

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 78740-20-2

System Generated Number

  • 0078740202

Structure Descriptors

InChI

1S/C17H21N5O4/c1-20-14-13(15(25)21(2)17(20)26)22(9-12(24)10-23)16(19-14)18-8-11-6-4-3-5-7-11/h3-7,12,23-24H,8-10H2,1-2H3,(H,18,19)

InChIKey

QKNAVASCRUCJEC-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)n(c1=O)C)n(c(n2)NCc3ccccc3)CC(CO)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 555mg/kg (555mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 338, 1987.
rat LDLo intraperitoneal 550mg/kg (550mg/kg)   Polish Journal of Pharmacology and Pharmacy. Vol. 33, Pg. 203, 1981.