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Substance Name: Aspartic acid, N-(N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-3-phenyl-L-alanyl)-, L-
RN: 82144-24-9
InChIKey: GMYPIYQGJCTFAM-PMACEKPBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H29-N9-O6

Molecular Weight

  • 587.5941
 
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Names and Synonyms

Synonym

  • N-(N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-phenylalanyl)-L-aspartic acid

Systematic Names

  • Aspartic acid, N-(N-(p-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-3-phenyl-L-alanyl)-, L-
  • L-Aspartic acid, N-(N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-phenylalanyl)-

Registry Numbers

CAS Registry Number

  • 82144-24-9

System Generated Number

  • 0082144249

Structure Descriptors

InChI

1S/C28H29N9O6/c1-37(14-17-13-31-24-22(32-17)23(29)35-28(30)36-24)18-9-7-16(8-10-18)25(40)33-19(11-15-5-3-2-4-6-15)26(41)34-20(27(42)43)12-21(38)39/h2-10,13,19-20H,11-12,14H2,1H3,(H,33,40)(H,34,41)(H,38,39)(H,42,43)(H4,29,30,31,35,36)/t19-,20-/m0/s1

InChIKey

GMYPIYQGJCTFAM-PMACEKPBSA-N

Smiles

CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](Cc4ccccc4)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 946mg/kg (946mg/kg)   Neoplasma. Vol. 29, Pg. 43, 1982.