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Substance Name: Butyric acid, 2-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzamido)-, (+-)-
RN: 68352-95-4
InChIKey: SBZUDTXGODOKBD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H22-N8-O3

Molecular Weight

  • 410.4358
 
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Names and Synonyms

Synonym

  • DL-2-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzamido)butyric acid

Systematic Names

  • Butanoic acid, 2-((4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)amino)-, (+-)-
  • Butyric acid, 2-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzamido)-, (+-)-

Registry Numbers

CAS Registry Number

  • 68352-95-4

System Generated Number

  • 0068352954

Structure Descriptors

InChI

1S/C19H22N8O3/c1-3-13(18(29)30)24-17(28)10-4-6-12(7-5-10)27(2)9-11-8-22-16-14(23-11)15(20)25-19(21)26-16/h4-8,13H,3,9H2,1-2H3,(H,24,28)(H,29,30)(H4,20,21,22,25,26)

InChIKey

SBZUDTXGODOKBD-UHFFFAOYSA-N

Smiles

CCC(C(=O)O)NC(=O)c1ccc(cc1)N(C)Cc2cnc3c(n2)c(nc(n3)N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 924mg/kg (924mg/kg)   Neoplasma. Vol. 29, Pg. 43, 1982.