Oxytetracycline calcium
HIT218852288
sdf文件结构编辑类似物检索
HIT ID: HIT218852288
Cas No: 7179-50-2
分子式: C22H22CaN2O9
分子量: 498.501
常用名: Oxytetracycline calcium
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: calcium (5S,5aR,6S,6aR,7S,10aS)-9-carbamoyl-7-(dimethylamino)-5,6,10a,11-tetrahydroxy-5-methyl-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracene-1,8-bis(olate)
IUPAC: calcium (5S,5aR,6S,6aR,7S,10aS)-9-carbamoyl-7-(dimethylamino)-5,6,10a,11-tetrahydroxy-5-methyl-10,12-dioxo-5,5a,6,6a,7,10,10a,12-octahydrotetracene-1,8-bis(olate)
SMILES: [Ca++].[H][C@@]12[C@@H](O)[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@H]2N(C)C)C(=O)c1c([O-])cccc1[C@@]3(C)O
SMILES: [Ca++].[H][C@@]12[C@@H](O)[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(N)=O)=C([O-])[C@H]2N(C)C)C(=O)c1c([O-])cccc1[C@@]3(C)O
InChI key: QJHKFWPAQRFQBG-IFLJXUKPSA-L
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