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Substance Name: Benzoic acid, 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxy-, butyl ester
RN: 55687-47-3
InChIKey: NOWKJMQWBNFXIP-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H24-N4-O4

Molecular Weight

  • 360.4116
 
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Names and Synonyms

Synonyms

  • 5-25-17-00185 (Beilstein Handbook Reference)
  • BRN 0853571
  • Butyl 4-((2,4-diamino-5-pyrimidinyl)methyl)-2,6-dimethoxybenzoate

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 55687-47-3

System Generated Number

  • 0055687473

Structure Descriptors

InChI

1S/C18H24N4O4/c1-4-5-6-26-17(23)15-13(24-2)8-11(9-14(15)25-3)7-12-10-21-18(20)22-16(12)19/h8-10H,4-7H2,1-3H3,(H4,19,20,21,22)

InChIKey

NOWKJMQWBNFXIP-UHFFFAOYSA-N

Smiles

CCCCOC(=O)c1c(cc(cc1OC)Cc2cnc(nc2N)N)OC

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.