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Substance Name: Aspartic acid, N-(p-(((2,4-diamino-7-pteridinyl)methyl)methylamino)benzoyl)-
RN: 82144-21-6
InChIKey: BLZFTEZQXFGKKA-LBPRGKRZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H20-N8-O5

Molecular Weight

  • 440.418
 
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Names and Synonyms

Synonyms

  • N-(4-(((2,4-Diamino-7-pteridinyl)methyl)methylamino)benzoyl)-L-aspartic acid
  • N-(p-(((2,4-Diamino-7-pteridinyl)methyl)methylamino)benzoyl)aspartic acid

Systematic Names

  • Aspartic acid, N-(p-(((2,4-diamino-7-pteridinyl)methyl)methylamino)benzoyl)-
  • L-Aspartic acid, N-(4-(((2,4-diamino-7-pteridinyl)methyl)methylamino)benzoyl)-

Registry Numbers

CAS Registry Number

  • 82144-21-6

System Generated Number

  • 0082144216

Structure Descriptors

InChI

1S/C19H20N8O5/c1-27(8-10-7-22-14-15(20)25-19(21)26-16(14)23-10)11-4-2-9(3-5-11)17(30)24-12(18(31)32)6-13(28)29/h2-5,7,12H,6,8H2,1H3,(H,24,30)(H,28,29)(H,31,32)(H4,20,21,23,25,26)/t12-/m0/s1

InChIKey

BLZFTEZQXFGKKA-LBPRGKRZSA-N

Smiles

CN(Cc1cnc2c(nc(nc2n1)N)N)c3ccc(cc3)C(=O)N[C@@H](CC(=O)O)C(=O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 194mg/kg (194mg/kg)   Neoplasma. Vol. 29, Pg. 43, 1982.