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Substance Name: 7H-Purine-7-propanoic acid, 1,2,3,6-tetrahydro-2,6-dioxo-1-methyl-3-(2-methylpropyl)-
RN: 132560-21-5
InChIKey: DJGIPKDKFPMSJC-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C13-H18-N4-O4

Molecular Weight

  • 294.3092
 
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Names and Synonyms

Synonyms

  • 1,2,3,6-Tetrahydro-2,6-dioxo-1-methyl-3-(2-methylpropyl)-7H-purine-7-propanoic acid
  • BRN 4206027

Systematic Name

  • 7H-Purine-7-propanoic acid, 1,2,3,6-tetrahydro-2,6-dioxo-1-methyl-3-(2-methylpropyl)-

Registry Numbers

CAS Registry Number

  • 132560-21-5

System Generated Number

  • 0132560215

Structure Descriptors

InChI

1S/C13H18N4O4/c1-8(2)6-17-11-10(12(20)15(3)13(17)21)16(7-14-11)5-4-9(18)19/h7-8H,4-6H2,1-3H3,(H,18,19)

InChIKey

DJGIPKDKFPMSJC-UHFFFAOYSA-N

Smiles

CC(C)CN1C(=O)N(C)C(=O)c2c1ncn2CCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1gm/kg (1000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 25, Pg. 653, 1990.