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Substance Name: Alanine, N-(p-((2,4-diamino-6-pteridylmethyl)amino)benzoyl)-, sodium salt, DL-
RN: 63949-98-4
InChIKey: KHQXPBQWKWTCBV-UHFFFAOYSA-M

Molecular Formulas

  • C17-H16-N8-O3.Na
  • C17-H18-N8-O3.Na

Molecular Weight

  • 406.38
 
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Names and Synonyms

Synonym

  • DL-N-(p-((2,4-Diamino-6-pteridylmethyl)amino)benzoyl)alanine sodium salt

Systematic Names

  • Alanine, N-(p-((2,4-diamino-6-pteridylmethyl)amino)benzoyl)-, sodium salt, DL-
  • DL-Alanine, N-(4-(((2,4-diamino-6-pteridinyl)methyl)amino)benzoyl)-, monosodium salt

Registry Numbers

CAS Registry Number

  • 63949-98-4

System Generated Number

  • 0063949984

Molecular Formulas

Molecular Formulas

  • C17-H16-N8-O3.Na
  • C17-H18-N8-O3.Na

Molecular Formula Fragments

  • C17-H16-N8-O3
  • C17-H18-N8-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C17H19N8O3.Na/c1-9(16(27)28)22-15(26)10-2-4-11(5-3-10)20-6-12-8-25(19)14-13(23-12)7-21-17(18)24-14;/h2-5,7-9,20H,6H2,1H3,(H2,19,23)(H,22,26)(H,27,28)(H2,18,21,24);/q;+1/p-1

InChIKey

KHQXPBQWKWTCBV-UHFFFAOYSA-M

Smiles

c12c([n](cc(n1)CNc1ccc(C(N[C@@H](C(=O)[O-])C)=O)cc1)N)nc(N)nc2.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo parenteral 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 685, 1955.