EDATREXATE

Molecular Formula: C₂₂H₂₅N₇O₅

InChI: InChI=1/C22H25N7O5/c1-2-11(9-14-10-25-19-17(26-14)18(23)28-22(24)29-19)12-3-5-13(6-4-12)20(32)27-15(21(33)34)7-8-16(30)31/h3-6,10-11,15H,2,7-9H2,1H3,(H,27,32)(H,30,31)(H,33,34)(H4,23,24,25,28,29)/f/h27,30,33H,23-24H2

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

Names:
    CGP 30694
    Edatrexate [USAN:INN]
    EDATREXATE
    Edatrexato [INN-Spanish]
    Edatrexatum [INN-Latin]
    L-Glutamic acid, N-(4-(1-((2,4-diamino-6-pteridinyl)methyl)propyl)benzoyl)-
    N-(p-(1-((2,4-Diamino-6-pteridinyl)methyl)propyl)benzoyl)-L-glutamic acid
    2-[[4-[1-(2,4-diaminopteridin-6-yl)butan-2-yl]benzoyl]amino]pentanedioic acid
    80576-83-6

Registries:
    PubChem CID 54586
    PubChem ID 192140