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Substance Name: 1H-Pyrrolo(2,3-d)pyrimidine-5-acetic acid, 2,3,4,7-tetrahydro-2,4-dioxo-1,3,6-trimethyl-
RN: 53681-44-0
InChIKey: LFTCYJTVZWAHHI-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C11-H13-N3-O4

Molecular Weight

  • 251.2407
 
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Names and Synonyms

Synonyms

  • 2,3,4,7-Tetrahydro-2,4-dioxo-1,3,6-trimethyl-1H-pyrrolo(2,3-d)pyrimidine-5-acetic acid
  • BRN 0814194

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 53681-44-0

System Generated Number

  • 0053681440

Structure Descriptors

InChI

1S/C11H13N3O4/c1-5-6(4-7(15)16)8-9(12-5)13(2)11(18)14(3)10(8)17/h12H,4H2,1-3H3,(H,15,16)

InChIKey

LFTCYJTVZWAHHI-UHFFFAOYSA-N

Smiles

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