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Substance Name: Valine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, DL-
RN: 68352-97-6
InChIKey: ZZDSDABQYAQGTL-AWEZNQCLSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H24-N8-O3

Molecular Weight

  • 424.4626
 
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Names and Synonyms

Synonyms

  • N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-DL-valine
  • N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)valine

Systematic Names

  • DL-Valine, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-
  • Valine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, DL-

Registry Numbers

CAS Registry Number

  • 68352-97-6

System Generated Number

  • 0068352976

Structure Descriptors

InChI

1S/C20H24N8O3/c1-10(2)14(19(30)31)25-18(29)11-4-6-13(7-5-11)28(3)9-12-8-23-17-15(24-12)16(21)26-20(22)27-17/h4-8,10,14H,9H2,1-3H3,(H,25,29)(H,30,31)(H4,21,22,23,26,27)/t14-/m0/s1

InChIKey

ZZDSDABQYAQGTL-AWEZNQCLSA-N

Smiles

CC(C)[C@@H](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 200mg/kg (200mg/kg)   Neoplasma. Vol. 29, Pg. 43, 1982.