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Substance Name: (N-(4-Amino-4-deoxy-N(10)-methylpteroyl)amino)-3-chloro-4,5-dihydro-5-isoxazoleacetic acid
RN: 108743-20-0
InChIKey: KIHCGQIJXRDSSP-JSGCOSHPSA-N

Note

  • Analog of methotrexate with acivicin replacing glutamate.

Classification Codes

  • Enzyme Inhibitors
  • Folic Acid Antagonists

Molecular Formula

  • C20-H20-Cl-N9-O4

Molecular Weight

  • 485.89
 
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Names and Synonyms

Name of Substance

  • (N-(4-Amino-4-deoxy-N(10)-methylpteroyl)amino)-3-chloro-4,5-dihydro-5-isoxazoleacetic acid

Synonym

  • Meapa-acivicin

Systematic Name

  • 5-Isoxazoleacetic acid, 3-chloro-alpha-((4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)amino)-4,5-dihydro-, (S-(R*,R*))-

Registry Numbers

CAS Registry Number

  • 108743-20-0

System Generated Number

  • 0108743200

Structure Descriptors

InChI

1S/C20H20ClN9O4/c1-30(8-10-7-24-17-15(25-10)16(22)27-20(23)28-17)11-4-2-9(3-5-11)18(31)26-14(19(32)33)12-6-13(21)29-34-12/h2-5,7,12,14H,6,8H2,1H3,(H,26,31)(H,32,33)(H4,22,23,24,27,28)/t12-,14-/m0/s1

InChIKey

KIHCGQIJXRDSSP-JSGCOSHPSA-N

Smiles

CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H]([C@@H]4CC(=NO4)Cl)C(=O)O