Name: Milbemycin oxime
Rating: 5 (10 reviews)

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HIT ID:HIT212650272
Cas No:129496-10-2
常用名:Milbemycin oxime
别名:米尔贝肟
IUPAC:(1'R,2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'E,20'R,21'Z,24'S)-24'-hydroxy-21'-(hydroxyimino)-5,6,11',13',22'-pentamethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one; (1'R,2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'E,20'R,21'Z,24'S)-6-ethyl-24'-hydroxy-21'-(hydroxyimino)-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one
IUPAC:(1'R,2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'E,20'R,21'Z,24'S)-24'-hydroxy-21'-(hydroxyimino)-5,6,11',13',22'-pentamethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one; (1'R,2R,4'S,5S,6R,8'R,10'E,13'R,14'E,16'E,20'R,21'Z,24'S)-6-ethyl-24'-hydroxy-21'-(hydroxyimino)-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-10',14',16',22'-tetraen-2'-one
InChI key:CKVMAPHTVCTEMM-ALPQRHTBSA-N

分子式:C63H88N2O14
分子量:1097.397
氢键供体数 (HBD):2
氢键受体数 (HBA):7
LogP:5.306229
SMILES:C[C@H]1CC[C@]2(C[C@@H]3C[C@@H](C\C=C(C)\C[C@@H](C)\C=C\C=C4/CO[C@@H]5\C(=N/O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@@H]1C.CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\C[C@@H](C)\C=C\C=C3/CO[C@@H]4\C(=N/O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |c:10,18,27,58,66,75,t:16,64|
SMILES:C[C@H]1CC[C@]2(C[C@@H]3C[C@@H](C\C=C(C)\C[C@@H](C)\C=C\C=C4/CO[C@@H]5\C(=N/O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@@H]1C.CC[C@H]1O[C@]2(CC[C@@H]1C)C[C@@H]1C[C@@H](C\C=C(C)\C[C@@H](C)\C=C\C=C3/CO[C@@H]4\C(=N/O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2 |c:10,18,27,58,66,75,t:16,64|

Milbemycin oxime 是一种大环内酯，具有广谱抗寄生虫活性。它由 Milbemycin A4 和 A3 组成。它可结合谷氨酸门控的氯离子通道，可作用于肠道线虫，肺和心脏蠕虫。

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