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Substance Name: 10-Deazaaminopterin
RN: 52454-37-2
UNII: PXJ16PPE04
InChIKey: LGFLRHWJJKLPCC-ZDUSSCGKSA-N

Classification Codes

  • Antineoplastic Agents
  • 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

  • 10-Deazaaminopterin

Synonyms

  • 10-Deaza-aminopterin
  • 10-Deazaminopterin
  • NSC 311469
  • UNII-PXJ16PPE04

Systematic Name

  • L-Glutamic acid, N-(4-(2-(2,4-diamino-6-pteridinyl)ethyl)benzoyl)-

Registry Numbers

CAS Registry Number

  • 52454-37-2

FDA UNII

  • PXJ16PPE04

System Generated Number

  • 0052454372

Structure Descriptors

InChI

1S/C20H21N7O5/c21-16-15-17(27-20(22)26-16)23-9-12(24-15)6-3-10-1-4-11(5-2-10)18(30)25-13(19(31)32)7-8-14(28)29/h1-2,4-5,9,13H,3,6-8H2,(H,25,30)(H,28,29)(H,31,32)(H4,21,22,23,26,27)/t13-/m0/s1

InChIKey

LGFLRHWJJKLPCC-ZDUSSCGKSA-N

Smiles

n1c(c2nc(CCc3ccc(C(N[C@H](C(=O)O)CCC(=O)O)=O)cc3)cnc2nc1N)N