InChI=1S/C22H24N2O8.H2O/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);1H2/t7-,10+,14+,15-,17-,22-;/m0./s1

【InChIKey】

InChIKey=XQTWDDCIUJNLTR-CVHRZJFOSA-N

【SMILES】

C[C@H]1c2cccc(c2C(=O)C3=C([C@]4([C@@H]([C@H]([C@H]13)O)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O.O

【MOL File】

DOXYCYCLINE MONOHYDR….mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:6

H bond acceptor:10

XLogP3:-1.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

4CML File

DOXYCYCLINE MONOHYDRATE.cml

Quick Release

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17086-28-1 DOXYCYCLINE MONOHYDRATE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】