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Substance Name: Methotrexate, monosodium salt
RN: 7532-09-4
UNII: 87WE99J27Z
InChIKey: BKBBTCORRZMASO-ZOWNYOTGSA-M

Molecular Formula

  • C20-H22-N8-O5.Na

Molecular Weight

  • 476.4269
 
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Names and Synonyms

Name of Substance

  • Methotrexate, monosodium salt

Synonyms

  • 4-Amino-N10-methylpteroyl glutamate sodium
  • EINECS 231-398-6
  • UNII-87WE99J27Z

Systematic Name

  • Sodium N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-L-glutamate

Registry Numbers

CAS Registry Number

  • 7532-09-4

FDA UNII

  • 87WE99J27Z

System Generated Number

  • 0007532094

Molecular Formulas

Molecular Formula

  • C20-H22-N8-O5.Na

Molecular Formula Fragments

  • C20-H22-N8-O5
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C20H22N8O5.Na/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30;/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27);/q;+1/p-1/t13-;/m0./s1

InChIKey

BKBBTCORRZMASO-ZOWNYOTGSA-M

Smiles

CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)[O-])C(=O)O.[Na+]