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Substance Name: Aspartic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-2-methoxybenzoyl)-, L-
RN: 82144-27-2
InChIKey: ZQSCOPBBAMKRTF-LBPRGKRZSA-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)-2-methoxybenzoyl)-L-aspartic acid

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 82144-27-2

System Generated Number

  • 0082144272

Structure Descriptors

InChI

1S/C20H22N8O6/c1-28(8-9-7-23-17-15(24-9)16(21)26-20(22)27-17)10-3-4-11(13(5-10)34-2)18(31)25-12(19(32)33)6-14(29)30/h3-5,7,12H,6,8H2,1-2H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t12-/m0/s1

InChIKey

ZQSCOPBBAMKRTF-LBPRGKRZSA-N

Smiles

CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(c(c3)OC)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 1501mg/kg (1501mg/kg)   Neoplasma. Vol. 29, Pg. 43, 1982.