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Substance Name: Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-
RN: 55687-45-1
InChIKey: KOWSSNDMODZYJP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C14-H16-N4-O4

Molecular Weight

  • 304.3044
 
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Names and Synonyms

Synonyms

  • 4-((2,4-Diamino-5-pyrimidinyl)methyl)-2,6-dimethoxybenzoic acid
  • 5-25-17-00184 (Beilstein Handbook Reference)
  • alpha-(2,4-Diamino-5-pyrimidinyl)-2,6-dimethoxy-p-toluic acid
  • BRN 0897518

Systematic Name

  • Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-

Registry Numbers

CAS Registry Number

  • 55687-45-1

System Generated Number

  • 0055687451

Structure Descriptors

InChI

1S/C14H16N4O4/c1-21-9-4-7(5-10(22-2)11(9)13(19)20)3-8-6-17-14(16)18-12(8)15/h4-6H,3H2,1-2H3,(H,19,20)(H4,15,16,17,18)

InChIKey

KOWSSNDMODZYJP-UHFFFAOYSA-N

Smiles

COc1cc(cc(c1C(=O)O)OC)Cc2cnc(nc2N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 5gm/kg (5000mg/kg)   European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 15, Pg. 17, 1980.