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氨甲叶酸7-羟基代谢物
7-Hydroxymethotrexate
7-hydroxy methotrexate
CAS号: 5939-37-7
IUPAC名称: (2S)-2-[[4-[(2,4-diamino-7-oxo-8H-pteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioic acid
分子式: C20H22N8O6
分子量: 470.43900
InChI: InChI=1S/C20H22N8O6/c1-28(8-12-18(32)26-16-14(23-12)15(21)25-20(22)27-16)10-4-2-9(3-5-10)17(31)24-11(19(33)34)6-7-13(29)30/h2-5,11H,6-8H2,1H3,(H,24,31)(H,29,30)(H,33,34)(H5,21,22,25,26,27,32)/t11-/m0/s1
InChIKey: HODZDDDNGRLGSI-NSHDSACASA-N
SMILES: -
EINECS: CN(CC1=NC2=C(N=C(N=C2NC1=O)N)N)C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
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