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Substance Name: 5-Deazaaminopterin
RN: 80360-09-4
InChIKey: QLPRLGAHKHCVEW-AWEZNQCLSA-N

Classification Codes

  • Enzyme Inhibitors
  • Folic Acid Antagonists

Molecular Formula

  • C20-H21-N7-O5

Molecular Weight

  • 439.43
 
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Names and Synonyms

Name of Substance

  • 5-Deazaaminopterin

Synonym

  • NSC 110183

Systematic Name

  • L-Glutamic acid, N-(4-(((2,4-diaminopyrido(2,3-d)pyrimidin-6-yl)methyl)amino)benzoyl)-

Registry Numbers

CAS Registry Number

  • 80360-09-4

System Generated Number

  • 0080360094

Structure Descriptors

InChI

1S/C20H21N7O5/c21-16-13-7-10(9-24-17(13)27-20(22)26-16)8-23-12-3-1-11(2-4-12)18(30)25-14(19(31)32)5-6-15(28)29/h1-4,7,9,14,23H,5-6,8H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,24,26,27)/t14-/m0/s1

InChIKey

QLPRLGAHKHCVEW-AWEZNQCLSA-N

Smiles

n1c(c2cc(CNc3ccc(C(N[C@H](C(=O)O)CCC(=O)O)=O)cc3)cnc2nc1N)N