Name: Fidaxomicin
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212038906
Cas No:873857-62-6
常用名:Fidaxomicin
别名:非达米星, Tiacumicin B, PAR-101, OPT-80, Clostomicin B1
别名:非达米星, Tiacumicin B, PAR-101, OPT-80, Clostomicin B1
IUPAC:(2R,3S,4S,5S,6R)-6-{[(3E,5E,8S,9E,11S,12R,13E,15E,18S)-12-{[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-[(2-methylpropanoyl)oxy]oxan-2-yl]oxy}-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy}-4-hydroxy-5-methoxy-2-methyloxan-3-yl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate
IUPAC:(2R,3S,4S,5S,6R)-6-{[(3E,5E,8S,9E,11S,12R,13E,15E,18S)-12-{[(2R,3S,4R,5S)-3,4-dihydroxy-6,6-dimethyl-5-[(2-methylpropanoyl)oxy]oxan-2-yl]oxy}-11-ethyl-8-hydroxy-18-[(1R)-1-hydroxyethyl]-9,13,15-trimethyl-2-oxo-1-oxacyclooctadeca-3,5,9,13,15-pentaen-3-yl]methoxy}-4-hydroxy-5-methoxy-2-methyloxan-3-yl 3,5-dichloro-2-ethyl-4,6-dihydroxybenzoate
InChI key:ZVGNESXIJDCBKN-UUEYKCAUSA-N

分子式:C52H74Cl2O18
分子量:1058.05
氢键供体数 (HBD):7
氢键受体数 (HBA):15
LogP:8.556185
SMILES:[H][C@@]1(O[C@@H]2[C@@H](CC)\C=C(C)\[C@@H](O)C\C=C\C=C(CO[C@@H]3O[C@H](C)[C@@H](OC(=O)c4c(O)c(Cl)c(O)c(Cl)c4CC)[C@H](O)[C@@H]3OC)\C(=O)O[C@@]([H])(C\C=C(/C)\C=C2/C)[C@@H](C)O)OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]1O |c:7,15,52,t:13,55|
SMILES:[H][C@@]1(O[C@@H]2[C@@H](CC)\C=C(C)\[C@@H](O)C\C=C\C=C(CO[C@@H]3O[C@H](C)[C@@H](OC(=O)c4c(O)c(Cl)c(O)c(Cl)c4CC)[C@H](O)[C@@H]3OC)\C(=O)O[C@@]([H])(C\C=C(/C)\C=C2/C)[C@@H](C)O)OC(C)(C)[C@@H](OC(=O)C(C)C)[C@H](O)[C@@H]1O |c:7,15,52,t:13,55|

Fidaxomicin (Tiacumicin B) 是一种大环RNA 聚合酶抑制剂，具有窄谱活性。它选择性地根除致病性艰难梭菌，对构成正常健康肠道菌群的多种细菌影响很小。

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