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Substance Name: beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-
RN: 68352-93-2
InChIKey: CGXIQTPGMGHJNW-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N8-O3

Molecular Weight

  • 396.409
 
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Names and Synonyms

Synonyms

  • N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-beta-alanine
  • N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-beta-alanine

Systematic Names

  • beta-Alanine, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-
  • beta-Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-

Registry Numbers

CAS Registry Number

  • 68352-93-2

System Generated Number

  • 0068352932

Structure Descriptors

InChI

1S/C18H20N8O3/c1-26(9-11-8-22-16-14(23-11)15(19)24-18(20)25-16)12-4-2-10(3-5-12)17(29)21-7-6-13(27)28/h2-5,8H,6-7,9H2,1H3,(H,21,29)(H,27,28)(H4,19,20,22,24,25)

InChIKey

CGXIQTPGMGHJNW-UHFFFAOYSA-N

Smiles

CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)NCCC(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 230mg/kg (230mg/kg)   Neoplasma. Vol. 29, Pg. 43, 1982.