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Substance Name: 3',5'-Difluoromethotrexate, (+/-)-
RN: 170969-77-4
UNII: ESI69SZS2O
InChIKey: WLGUDGOIFDAKHG-UHFFFAOYSA-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'-Difluoromethotrexate, (+/-)-
  • DL-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-3,5-difluorobenzoyl)-
  • Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)-3,5-difluorobenzoyl)-
  • UNII-ESI69SZS2O

Registry Numbers

CAS Registry Number

  • 170969-77-4

FDA UNII

  • ESI69SZS2O

System Generated Number

  • 0170969774

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)

InChIKey

WLGUDGOIFDAKHG-UHFFFAOYSA-N

Smiles

CN(Cc1cnc2nc(N)nc(N)c2n1)c3c(F)cc(cc3F)C(=O)NC(CCC(=O)O)C(=O)O