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Substance Name: Benzoic acid, 4-((2-amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)-
RN: 80305-92-6
InChIKey: WUQWKRUMGKYJAY-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C12-H11-N3-O4

Molecular Weight

  • 261.236
 
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Names and Synonyms

Synonyms

  • 4-((2-Amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)benzoic acid
  • BRN 4701200

Systematic Name

  • Benzoic acid, 4-((2-amino-1,4-dihydro-6-hydroxy-4-oxo-5-pyrimidinyl)methyl)-

Registry Numbers

CAS Registry Number

  • 80305-92-6

System Generated Number

  • 0080305926

Structure Descriptors

InChI

1S/C12H11N3O4/c13-12-14-9(16)8(10(17)15-12)5-6-1-3-7(4-2-6)11(18)19/h1-4H,5H2,(H,18,19)(H4,13,14,15,16,17)

InChIKey

WUQWKRUMGKYJAY-UHFFFAOYSA-N

Smiles

c1(Cc2ccc(C(O)=O)cc2)c(nc(N)[nH]c1O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 800mg/kg (800mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 46, Pg. 2217, 1981.