Doxycycline calcium
HIT218852317
sdf文件结构编辑类似物检索
HIT ID: HIT218852317
Cas No: 94088-85-4
分子式: C22H20Ca2N2O8
分子量: 520.564
常用名: Doxycycline calcium
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: dicalcium (5R,5aR,6S,6aR,7S,10aS)-9-carbamoyl-7-(dimethylamino)-10a-hydroxy-5-methyl-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracene-1,6,8,11-tetrakis(olate)
IUPAC: dicalcium (5R,5aR,6S,6aR,7S,10aS)-9-carbamoyl-7-(dimethylamino)-10a-hydroxy-5-methyl-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracene-1,6,8,11-tetrakis(olate)
SMILES: [Ca++].[Ca++].[H][C@@]12[C@@H](C)c3cccc([O-])c3C(=O)C1=C([O-])[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@@H](N(C)C)[C@]1([H])[C@H]2[O-]
SMILES: [Ca++].[Ca++].[H][C@@]12[C@@H](C)c3cccc([O-])c3C(=O)C1=C([O-])[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@@H](N(C)C)[C@]1([H])[C@H]2[O-]
InChI key: VYZMAWNXVSMGTJ-QFWOMMJSSA-K
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