DICHLOROMETHOTREXATE

Molecular Formula: C₂₀H₂₀Cl₂N₈O₅

InChI: InChI=1/C20H20Cl2N8O5/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)/t12-/m0/s1/f/h27,31,34H,23-24H2

InChIKey: InChIKey=MCEHFIXEKNKSRW-BCAARTKMDQ
SMILES: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=C(C=C(C=C3Cl)C(=O)NC(CCC(=O)O)C(=O)O)Cl

Names:
    Amethopterin, 3',5'-dichloro-
    CCRIS 4602
    Dichloroamethopterin
    DICHLOROMETHOTREXATE
    Methotrexate, dichloro-
    NCI-C04875
    NSC 29630
    NSC-29630
    (2S)-2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioic acid
    3',5'-Dichloroamethopterin
    3',5'-Dichloromethotrexate

Registries:
    PubChem CID 10713
    PubChem ID 154015