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Substance Name: Alanine, N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, DL-
RN: 68352-92-1
InChIKey: YSJYQTZPTGSHNG-VIFPVBQESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C18-H20-N8-O3

Molecular Weight

  • 396.409
 
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Names and Synonyms

Synonyms

  • BRN 1189571
  • N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-DL-alanine
  • N-(p-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-DL-alanine

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 68352-92-1

System Generated Number

  • 0068352921

Structure Descriptors

InChI

1S/C18H20N8O3/c1-9(17(28)29)22-16(27)10-3-5-12(6-4-10)26(2)8-11-7-21-15-13(23-11)14(19)24-18(20)25-15/h3-7,9H,8H2,1-2H3,(H,22,27)(H,28,29)(H4,19,20,21,24,25)/t9-/m0/s1

InChIKey

YSJYQTZPTGSHNG-VIFPVBQESA-N

Smiles

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 321mg/kg (321mg/kg)   Neoplasma. Vol. 29, Pg. 43, 1982.