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Substance Name: 3',5'-Difluoromethotrexate
RN: 34378-64-8
UNII: C13621B1AB
InChIKey: WLGUDGOIFDAKHG-LBPRGKRZSA-N

Molecular Formula

  • C20-H20-F2-N8-O5

Molecular Weight

  • 490.425
 
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Names and Synonyms

Name of Substance

  • 3',5'-Difluoromethotrexate

Synonyms

  • 3',5'-F2MTX
  • NSC 136736
  • UNII-C13621B1AB

Systematic Name

  • L-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-3,5-difluorobenzoyl)-

Registry Numbers

CAS Registry Number

  • 34378-64-8

FDA UNII

  • C13621B1AB

System Generated Number

  • 0034378648

Structure Descriptors

InChI

1S/C20H20F2N8O5/c1-30(7-9-6-25-17-14(26-9)16(23)28-20(24)29-17)15-10(21)4-8(5-11(15)22)18(33)27-12(19(34)35)2-3-13(31)32/h4-6,12H,2-3,7H2,1H3,(H,27,33)(H,31,32)(H,34,35)(H4,23,24,25,28,29)/t12-/m0/s1

InChIKey

WLGUDGOIFDAKHG-LBPRGKRZSA-N

Smiles

CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3c(cc(cc3F)C(=O)N[C@@H](CCC(=O)O)C(=O)O)F