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Substance Name: Aspartic acid, N-(p-((2,4-diamino-6-pteridylmethyl)amino)benzoyl)-, sodium salt
RN: 64049-04-3
InChIKey: QFJUEGDNXSCKBV-UHFFFAOYSA-M

Molecular Formula

  • C18-H18-N8-O5.x-Na

Molecular Weight

  • 448.373
 
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Names and Synonyms

Synonym

  • Sodium N-(p-((2,4-diamino-6-pteridylmethyl)amino)benzoyl)aspartate

Systematic Name

  • Aspartic acid, N-(p-((2,4-diamino-6-pteridylmethyl)amino)benzoyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 64049-04-3

System Generated Number

  • 0064049043

Molecular Formulas

Molecular Formula

  • C18-H18-N8-O5.x-Na

Molecular Formula Fragments

  • C18-H18-N8-O5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C18H18N8O5.Na/c19-14-13-15(26-18(20)25-14)22-7-10(23-13)6-21-9-3-1-8(2-4-9)16(29)24-11(17(30)31)5-12(27)28;/h1-4,7,11,21H,5-6H2,(H,24,29)(H,27,28)(H,30,31)(H4,19,20,22,25,26);/q;+1/p-1

InChIKey

QFJUEGDNXSCKBV-UHFFFAOYSA-M

Smiles

c12c(nc(CNc3ccc(C(N[C@@H](CC(O)=O)C(=O)[O-])=O)cc3)cn1)c(nc(n2)N)N.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo parenteral 200mg/kg (200mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 686, 1955.