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Substance Name: Glutamic acid, N-(p-(1-(2,4-diaminopyrido(3,2-d)pyrimidin-6-ylmethyl)propyl)benzoyl)-, hydrate
RN: 88393-05-9
InChIKey: CHXHSHPFFOUELL-YYEGJJRBSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C23-H24-N6-O5.H2-O

Molecular Weight

  • 484.5102
 
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Names and Synonyms

Synonym

  • N-(p-(2-(2,4-Diaminopyrido(3,2-d)pyrimidin-6-ylmethyl)propyl)benzoyl)glutamic acid hydrate

Systematic Name

  • Glutamic acid, N-(p-(1-(2,4-diaminopyrido(3,2-d)pyrimidin-6-ylmethyl)propyl)benzoyl)-, hydrate

Registry Numbers

CAS Registry Number

  • 88393-05-9

System Generated Number

  • 0088393059

Molecular Formulas

Molecular Formula

  • C23-H24-N6-O5.H2-O

Molecular Formula Fragments

  • C23-H24-N6-O5
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C23H26N6O5.H2O/c1-2-12(11-15-7-8-16-19(26-15)20(24)29-23(25)28-16)13-3-5-14(6-4-13)21(32)27-17(22(33)34)9-10-18(30)31;/h3-8,12,17H,2,9-11H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,24,25,28,29);1H2/t12?,17-;/m0./s1

InChIKey

CHXHSHPFFOUELL-YYEGJJRBSA-N

Smiles

n1c(c2nc(CC(c3ccc(C(=O)N[C@H](C(=O)O)CCC(=O)O)cc3)CC)ccc2nc1N)N.O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD10 subcutaneous 1500ug/kg (1.5mg/kg)   Journal of Medicinal Chemistry. Vol. 27, Pg. 376, 1984.