Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Aspartic acid, N-(N-(p-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)glycyl)-, L-
RN: 82151-89-1
InChIKey: VPSRBWFQJWKFRV-LBPRGKRZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C20-H21-N9-O6

Molecular Weight

  • 483.4429
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Synonyms

  • N-(N-(4-(((2,4-Diamino-6-pteridinyl)methyl)amino)benzoyl)glycyl)-L-aspartic acid
  • N-(N-(p-(((2,4-Diamino-6-pteridinyl)methyl)amino)benzoyl)glycyl)-L-aspartic acid

Systematic Names

  • Aspartic acid, N-(N-(p-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)glycyl)-, L-
  • L-Aspartic acid, N-(N-(4-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)glycyl)-

Registry Numbers

CAS Registry Number

  • 82151-89-1

System Generated Number

  • 0082151891

Structure Descriptors

InChI

1S/C20H21N9O6/c21-16-15-17(29-20(22)28-16)24-7-11(26-15)6-23-10-3-1-9(2-4-10)18(33)25-8-13(30)27-12(19(34)35)5-14(31)32/h1-4,7,12,23H,5-6,8H2,(H,25,33)(H,27,30)(H,31,32)(H,34,35)(H4,21,22,24,28,29)/t12-/m0/s1

InChIKey

VPSRBWFQJWKFRV-LBPRGKRZSA-N

Smiles

c1cc(ccc1C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported 184mg/kg (184mg/kg)   Neoplasma. Vol. 29, Pg. 43, 1982.