Ketotrexate

Molecular Formula: C₂₁H₂₇N₇O₆

InChI: InChI=1/C21H27N7O6/c1-28-13(10-24-17-16(28)19(32)27-21(22)26-17)8-9-23-12-4-2-11(3-5-12)18(31)25-14(20(33)34)6-7-15(29)30/h2-5,13-14,23H,6-10H2,1H3,(H,25,31)(H,29,30)(H,33,34)(H4,22,24,26,27,32)/t13u,14-/m0/s1/f/h24-26,29,33H,22H2

InChIKey: InChIKey=KCPBTDJBDDCNQE-RVOUYXJBDC
SMILES: CN1C(CNC2=C1C(=O)N=C(N2)N)CCNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Names:
    Ketotrexate [INN]
    Ketotrexate
    Ketotrexato [Spanish]
    Ketotrexatum [Latin]
    N-(p-((2-(2-Amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)ethyl)amino)benzoyl)-L-glutamic acid
    N-(4-((2-(2-Amino-1,4,5,6,7,8-hexahydro-5-methyl-4-oxo-6-pteridinyl)ethyl)amino)benzoyl)-L-glutamic acid
    (2S)-2-[[4-[2-(2-amino-5-methyl-4-oxo-1,6,7,8-tetrahydropteridin-6-yl)ethylamino]benzoyl]amino]pentanedioic acid
    5-Methyltetrahydrohomofolic acid
    52196-22-2
    52386-42-2

Registries:
    PubChem CID 68691
    PubChem ID 210820