Name: Meclocycline sulfosalicylate salt
Rating: 5 (10 reviews)

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HIT ID:HIT212038993
Cas No:73816-42-9
常用名:Meclocycline sulfosalicylate salt
常用名:Meclocycline sulfosalicylate salt
别名:甲环素磺基水杨酸盐, 磺基水杨酸甲氯环素, Meclutin, Mecloderm, Meclan Cream
别名:甲环素磺基水杨酸盐, 磺基水杨酸甲氯环素, Meclutin, Mecloderm, Meclan Cream
IUPAC:(4S,4aR,5S,5aR,12aS)-7-chloro-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methylidene-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide; 2-hydroxy-5-sulfobenzoic acid
IUPAC:(4S,4aR,5S,5aR,12aS)-7-chloro-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methylidene-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide; 2-hydroxy-5-sulfobenzoic acid
InChI key:FYSVKUUNXYGFLA-CCHMMTNSSA-N

分子式:C29H27ClN2O14S
分子量:695.05
氢键供体数 (HBD):6
氢键受体数 (HBA):9
LogP:-2.947097
SMILES:OC(=O)c1cc(ccc1O)S(O)(=O)=O.[H][C@@]12[C@@H](O)[C@]3([H])C(=C)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C |t:34,45|
SMILES:OC(=O)c1cc(ccc1O)S(O)(=O)=O.[H][C@@]12[C@@H](O)[C@]3([H])C(=C)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C |t:34,45|

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