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Substance Name: 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-3,6-dimethyl-2,4-dioxo-1-phenyl-
RN: 53681-45-1
InChIKey: GWJKJQSCRFIJRF-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H15-N3-O4

Molecular Weight

  • 313.3115
 
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Names and Synonyms

Synonyms

  • 3,6-Dimethyl-2,4-dioxo-1-phenyl-2,3,4,7-tetrahydro-1H-pyrrolo(2,3-d)pyrimidine-5-acetic acid
  • BRN 0840880

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 53681-45-1

System Generated Number

  • 0053681451

Structure Descriptors

InChI

1S/C16H15N3O4/c1-9-11(8-12(20)21)13-14(17-9)19(10-6-4-3-5-7-10)16(23)18(2)15(13)22/h3-7,17H,8H2,1-2H3,(H,20,21)

InChIKey

GWJKJQSCRFIJRF-UHFFFAOYSA-N

Smiles

Cc1c(c2c([nH]1)n(c(=O)n(c2=O)C)c3ccccc3)CC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal > 1600mg/kg (1600mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 22, Pg. 1459, 1974.