Methotrexate (hydrate)
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Basic information
| GHS | |
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| Smiles | NC1C2N=C(CN(C3C=CC(C(=O)N[C@H](C(=O)O)CCC(=O)O)=CC=3)C)C=NC=2N=C(N)N=1.O |
| 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 |
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| Storage Condition | 001 |
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