3',5'-DICHLOROMETHOTREXATE SODIUM SALT

Molecular Formula: C20H18Cl2N8Na2O5


InChI: InChI=1/C20H20Cl2N8O5.2Na/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);;/q;2*+1/p-2/fC20H18Cl2N8O5.2Na/h27H,23-24H2;;/q-2;2m

InChIKey: InChIKey=IRMJZDNBCPOFSN-GXPHCIETCM
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.[Na+].[Na+]

Names:
    disodium 2-[[3,5-dichloro-4-[(2,4-diaminopteridin-6-yl)methyl-methyl-amino]benzoyl]amino]pentanedioate
    22198-99-8
    3',5'-DICHLOROMETHOTREXATE SODIUM SALT

Registries:
    PubChem CID 31009
    PubChem ID 173053