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Substance Name: 7H-Purine-7-acetaldehyde, 1,2,3,6-tetrahydro-8-bromo-1,3-dimethyl-2,6-dioxo-
RN: 111038-29-0
InChIKey: SSTGBMCLNGQXNF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C9-H9-Br-N4-O3

Molecular Weight

  • 301.0991
 
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Names and Synonyms

Synonyms

  • 1,2,3,6-Tetrahydro-8-bromo-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetaldehyde
  • 8-Bromotheophyllinyl-7-acetaldehyde
  • BRN 5586577

Systematic Name

  • 7H-Purine-7-acetaldehyde, 1,2,3,6-tetrahydro-8-bromo-1,3-dimethyl-2,6-dioxo-

Registry Numbers

CAS Registry Number

  • 111038-29-0

System Generated Number

  • 0111038290

Structure Descriptors

InChI

1S/C9H9BrN4O3/c1-12-6-5(7(16)13(2)9(12)17)14(3-4-15)8(10)11-6/h4H,3H2,1-2H3

InChIKey

SSTGBMCLNGQXNF-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 342mg/kg (342mg/kg)   Pharmaceutical Chemistry Journal Vol. 21, Pg. 338, 1987.