Rheumatrex

Methotrexate 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: C₂₀H₂₂N₈O₅

InChI: InChI=1/C20H22N8O5/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)/t13-/m1/s1/f/h25,29,32H,21-22H2

InChIKey: InChIKey=FBOZXECLQNJBKD-UCCLXRCLDF
SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Names:
    Amethopterin L-
    Antifolan
    A-Methopterin
    A-Methpterin
    Hdmtx
    Ledertrexate
    Metatrexan
    methotrexate
    Mexate
    Rheumatrex
    (2R)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid

Registries:
    PubChem CID 72440
    PubChem ID 148896