Name: Tilmicosin phosphate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212039154
Cas No:137330-13-3
常用名:Tilmicosin phosphate
别名:替米考星磷酸盐, 磷酸替米考星
IUPAC:(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-{[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-7-{2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl}-16-ethyl-4-hydroxy-15-({[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}methyl)-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione; phosphoric acid
IUPAC:(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-{[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-7-{2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl}-16-ethyl-4-hydroxy-15-({[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}methyl)-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione; phosphoric acid
InChI key:NESIVXZOSKKUDP-ARVJLQODSA-N

分子式:C46H83N2O17P
分子量:967.141
氢键供体数 (HBD):4
氢键受体数 (HBA):14
LogP:4.189856
SMILES:OP(O)(O)=O.[H][C@@]1(O[C@H]2[C@@H](CCN3C[C@@H](C)C[C@@H](C)C3)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@H](CO[C@@H]3O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]3OC)[C@@H](CC)OC(=O)C[C@@H](O)[C@@H]2C)O[C@H](C)[C@@H](O)[C@@H]([C@H]1O)N(C)C |t:25,28|
SMILES:OP(O)(O)=O.[H][C@@]1(O[C@H]2[C@@H](CCN3C[C@@H](C)C[C@@H](C)C3)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@H](CO[C@@H]3O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]3OC)[C@@H](CC)OC(=O)C[C@@H](O)[C@@H]2C)O[C@H](C)[C@@H](O)[C@@H]([C@H]1O)N(C)C |t:25,28|

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