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Substance Name: 1H-Pyrrolo(3,4-d)pyrimidine-5-carboxylic acid, 2,3,4,6-tetrahydro-2,4-dioxo-7-phenyl-, methyl ester
RN: 57436-25-6
InChIKey: YBPAFOUYXRFWOW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H11-N3-O4

Molecular Weight

  • 285.2579
 
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Names and Synonyms

Synonyms

  • 5-Methoxycarbonyl-7-phenyl-6H-pyrrolo(3,4-d)pyrimidin-2(1H),4(3H)-dione
  • BRN 0692739

Systematic Name

  • 1H-Pyrrolo(3,4-d)pyrimidine-5-carboxylic acid, 2,3,4,6-tetrahydro-2,4-dioxo-7-phenyl-, methyl ester

Registry Numbers

CAS Registry Number

  • 57436-25-6

System Generated Number

  • 0057436256

Structure Descriptors

InChI

1S/C14H11N3O4/c1-21-13(19)11-8-10(16-14(20)17-12(8)18)9(15-11)7-5-3-2-4-6-7/h2-6,15H,1H3,(H2,16,17,18,20)

InChIKey

YBPAFOUYXRFWOW-UHFFFAOYSA-N

Smiles

COC(=O)c1[nH]c(c2NC(=O)NC(=O)c12)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   Farmaco, Edizione Scientifica. Vol. 31, Pg. 81, 1976.