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Substance Name: Methotrexate monohydrate
RN: 6745-93-3
UNII: 84DMZ3IHO0
InChIKey: FPJYMUQSRFJSEW-ZOWNYOTGSA-N

Note

  • An antineoplastic antimetabolite with immunosuppressant properties. It is an inhibitor of TETRAHYDROFOLATE DEHYDROGENASE and prevents the formation of tetrahydrofolate, necessary for synthesis of thymidylate, an essential component of DNA.

Molecular Formula

  • C20-H22-N8-O5.H2-O

Molecular Weight

  • 472.4596
 

Names and Synonyms

Name of Substance

  • Methotrexate monohydrate

Synonyms

  • Methotrexate hydrate
  • UNII-84DMZ3IHO0

Registry Numbers

CAS Registry Number

  • 6745-93-3

FDA UNII

  • 84DMZ3IHO0

System Generated Number

  • 0006745933

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-;/m0./s1

InChIKey

FPJYMUQSRFJSEW-ZOWNYOTGSA-N

Smiles

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