基本信息
- 标准SMILES
CCC(C)[C@H]1O[C@]2(CC[C@@H]1C)CC1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](OC4C[C@H](OC)[C@@H](O)[C@H](C)O4)[C@H](C)O3)[C@@H](C)/C=C/C=C3\CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2.CO[C@H]1CC(O[C@H]2[C@H](C)O[C@@H](O[C@@H]3/C(C)=C/C[C@@H]4CC(C[C@]5(CC[C@H](C)[C@@H](C(C)C)O5)O4)OC(=O)[C@@H]4C=C(C)[C@@H](O)[C@H]5OC/C(=C\C=C\[C@@H]3C)[C@]54O)C[C@@H]2OC)O[C@@H](C)[C@@H]1O.O=[N+]([O-])NC1=NCCN1Cc1ccc(Cl)nc1- InChIKey
OCOBBYYQZMTLHS-MEKRRADPSA-N- 分子式
- C104H156ClN5O30
- 平均分子量
- 1,991.8 g/mol
- 单同位素质量
- 1,990.05236627
概述
See also: Imidacloprid (has component); Ivermectin (has component).
名称与标识
- 首选名称
- Imidacloprid; Ivermectin
- IUPAC
- (1R,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-6'-butan-2-yl-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;N-[1-[(6-chloro-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-yl]nitramide;(1R,5'S,6R,6'R,8R,10E,12S,13S,14E,16E,20R,21R,24S)-21,24-dihydroxy-12-[(2R,4S,5S,6S)-5-[(4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-5',11,13,22-tetramethyl-6'-propan-2-ylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
名称与别名
Imidacloprid/IvermectinImidacloprid, IvermectinImidacloprid; IvermectinRefChem:58675Imidacloprid / IvermectinDTXSID20175123
数据库标识
- CAS
209471-60-3- PubChem CID
- 71301282
- DTXSID
DTXSID20175123
性质
结构计算性质
- 极性表面积
- 426 Ų
- 氢键供体
- 7
- 氢键受体
- 32
- 可旋转键
- 18
- 重原子
- 140
- 形式电荷
- 0
- 复杂度
- 3,660
实验与物化性质
Animal DrugsFDA approved animal drugs -> Active ingredient
相关反应
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当前筛选下没有反应记录。
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