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Substance Name: Methotrexate monohydrate, (R)-
RN: 206557-07-5
UNII: 3UKI40B4O6
InChIKey: FPJYMUQSRFJSEW-BTQNPOSSSA-N

Molecular Formula

  • C20-H22-N8-O5.H2-O

Molecular Weight

  • 472.4596
 
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Names and Synonyms

Name of Substance

  • Methotrexate monohydrate, (R)-

Synonyms

  • D-Glutamic acid, N-(4-(((2,4-diamino-6-pteridinyl)methyl)methylamino)benzoyl)-, monohydrate
  • Methotrexate monohydrate, (R)-
  • UNII-3UKI40B4O6

Registry Numbers

CAS Registry Number

  • 206557-07-5

FDA UNII

  • 3UKI40B4O6

System Generated Number

  • 0206557075

Structure Descriptors

InChI

1S/C20H22N8O5.H2O/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);1H2/t13-;/m1./s1

InChIKey

FPJYMUQSRFJSEW-BTQNPOSSSA-N

Smiles

O.CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)N[C@H](CCC(=O)O)C(=O)O