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Substance Name: Aspartic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-3-methoxybenzoyl)-, L-
RN: 82144-28-3
InChIKey: XMXRJTLFZFKCNF-NSHDSACASA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H22-N8-O6

Molecular Weight

  • 470.4438
 
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Names and Synonyms

Synonym

  • N-(4-(((2,4-Diamino-6-pteridinyl)methyl)methylamino)-3-methoxybenzoyl)-L-aspartic acid

Systematic Names

  • Aspartic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-3-methoxybenzoyl)-, L-
  • L-Aspartic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-3-methoxybenzoyl)-

Registry Numbers

CAS Registry Number

  • 82144-28-3

System Generated Number

  • 0082144283

Structure Descriptors

InChI

1S/C20H22N8O6/c1-28(8-10-7-23-17-15(24-10)16(21)26-20(22)27-17)12-4-3-9(5-13(12)34-2)18(31)25-11(19(32)33)6-14(29)30/h3-5,7,11H,6,8H2,1-2H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t11-/m0/s1

InChIKey

XMXRJTLFZFKCNF-NSHDSACASA-N

Smiles

CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3OC)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 499mg/kg (499mg/kg)   Neoplasma. Vol. 29, Pg. 43, 1982.