basic_info |
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Product_Name: | DOXYCYCLINE MONOHYDRATE |
CAS: | 17086-28-1 ;564-25-0 |
EnglishSynonyms: | 4-(DIMETHYLAMINO)-1,4,4A,5,5A,6,11,12A-OCTAHYDRO-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-2-NA HYDRATE ; DOXYCYCLINE HYDRATE ; DOXYCYCLINE MONOHYDRATE ; DOXYCYCLINE ; 4-(DIMETHYLAMINO)-3,5,10,12,12A-PENTAHYDROXY-6-METHYL-1,11-DIOXO-1,4,4A,5,5A,6,11,12A-OCTAHYDROTETRACENE-2-CARBOXAMIDE HYDRATE |
pro_mdlNumber: | MFCD02682958 |
pro_acceptors: | 10 |
pro_donors: | 6 |
pro_smile: | 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 |
InChi: | 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 |
property |
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MeltingPoint: | 167-168 DEG C |
Comments: | HAZARD: R 22 HAZARD: S 36-60 MERCK: 14,3440 TSCA: N UNSPSC: 12000000 |
secure_info |
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