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】

InChIKey=HODZDDDNGRLGSI-NSHDSACASA-N

【SMILES】

CN(Cc1c(nc2c(n1)c(nc(n2)N)N)O)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O

【MOL File】

7-HYDROXY METHOTREXA….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:6

H bond acceptor:14

XLogP3:-1.0

Bulk/Fine:F

3Material Safety Data Sheet(MSDS)

4CML File

7-HYDROXY METHOTREXATE.cml

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5939-37-7 7-HYDROXY METHOTREXATE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】