Please enter keywords
L(+)-Amethopterin hydrate
甲氨蝶呤
,
L(+)-甲氨喋呤
,
二水合氨甲嘌呤, MFCD00150848, L-Amethopterin hydrate, Methotrexate Hydrate
CAS Number: 133073-73-1
IUPAC name: (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid;hydrate
Molecular formula: C20H22N8O5
Molecular weight: 454.43900
InChI: InChI=1S/C20H22N8O5.H2O/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);1H2/t13-;/m0./s1
InChIKey: FPJYMUQSRFJSEW-ZOWNYOTGSA-N
SMILES: -
EINECS: CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O.O
