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Substance Name: 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl-
RN: 101072-13-3
InChIKey: QPDOTAVAZRSBRD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H11-Br-N4-O5

Molecular Weight

  • 395.1679
 
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Names and Synonyms

Synonyms

  • 8-Bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3,7-dihydro-3-methyl-1H-purine-2,6-dione
  • BRN 5633493

Systematic Name

  • 1H-Purine-2,6-dione, 3,7-dihydro-8-bromo-7-(2-(3,4-dihydroxyphenyl)-2-oxoethyl)-3-methyl-

Registry Numbers

CAS Registry Number

  • 101072-13-3

System Generated Number

  • 0101072133

Structure Descriptors

InChI

1S/C14H11BrN4O5/c1-18-11-10(12(23)17-14(18)24)19(13(15)16-11)5-9(22)6-2-3-7(20)8(21)4-6/h2-4,20-21H,5H2,1H3,(H,17,23,24)

InChIKey

QPDOTAVAZRSBRD-UHFFFAOYSA-N

Smiles

Cn1c2c(c(=O)[nH]c1=O)n(c(n2)Br)CC(=O)c3ccc(c(c3)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 405mg/kg (405mg/kg)   Pharmaceutical Chemistry Journal Vol. 20, Pg. 253, 1986.