Imidacloprid; Ivermectin

HCID 71301282CAS 209471-60-3

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

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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