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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimethyl-
RN: 111038-24-5
InChIKey: JYPDPXFFZDJFKZ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C10-H13-Br-N4-O4

Molecular Weight

  • 333.1407
 
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Names and Synonyms

Synonyms

  • 3,7-Dihydro-8-bromo-7-(2,3-dihydroxypropyl)-1,3-dimethyl-1H-purine-2,6-dione
  • 4-26-00-02450 (Beilstein Handbook Reference)
  • 7-(2,3-Dihydroxypropyl)-8-bromotheophylline
  • BRN 0309839

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 111038-24-5

System Generated Number

  • 0111038245

Structure Descriptors

InChI

1S/C10H13BrN4O4/c1-13-7-6(8(18)14(2)10(13)19)15(9(11)12-7)3-5(17)4-16/h5,16-17H,3-4H2,1-2H3

InChIKey

JYPDPXFFZDJFKZ-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1330mg/kg (1330mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 338, 1987.