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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-, methyl ester
RN: 53681-42-8
InChIKey: QKSGKHATORXZQN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H15-N3-O4

Molecular Weight

  • 265.2675
 
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Names and Synonyms

Synonym

  • BRN 0825456

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 53681-42-8

System Generated Number

  • 0053681428

Structure Descriptors

InChI

1S/C12H15N3O4/c1-6-7(5-8(16)19-4)9-10(13-6)14(2)12(18)15(3)11(9)17/h13H,5H2,1-4H3

InChIKey

QKSGKHATORXZQN-UHFFFAOYSA-N

Smiles

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

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.