Avermectin

HCID 6858006
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基本情報

CAS
73989-17-0
標準SMILES
CCC(C)[C@H]1O[C@]2(C=C[C@@H]1C)C[C@@H]1C[C@@H](C/C=C(\C)[C@@H](O[C@H]3C[C@H](OC)[C@@H](O[C@H]4C[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
InChIKey
RRZXIRBKKLTSOM-VDYLCOMISA-N
分子式
C48H72O14
平均分子量
873.1 g/mol
単同位体質量
872.49220697

名称と識別子

優先名称
Avermectin
IUPAC
(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-butan-2-yl-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one
英語名
AVERMECTIN
分子式
C44H66O14
分子量
818.98644

名称と別名

Avermectin73989-17-0DTXSID3032678(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-butan-2-yl-21',24'-dihydroxy-12'-((2R,4S,5S,6S)-5-((2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-4-methoxy-6-methyloxan-2-yl)oxy-3,11',13',22'-tetramethylspiro(2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo(15.6.1.14,8.020,24)pentacosa-10,14,16,22-tetraene)-2'-one(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-butan-2-yl-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-oneRefChem:916538CHEBI:50344MLS006011596(1'R,2S,4'S,5S,6R,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-6-(butan-2-yl)-21',24'-dihydroxy-12'-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-Abamectin/AvermectinCHEMBL80025SCHEMBL13417423
名称をさらに表示
SongxianguangAverMectin FDAAvermectin (type unspecified)
RRZXIRBKKLTSOM-VDYLCOMISA-NNP500LMPK04000024STK801959AKOS005622621CCG-270547SMR0047033692-yl]oxy}-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',1

データベース識別子

CAS
73989-17-0
PubChem CID
6858006
ChEMBL
CHEMBL80025

物性

構造計算による物性

XLogP
3.8
極性表面積
170 Ų
水素結合供与体数
3
水素結合受容体数
14
回転可能結合数
8
重原子数
62

安全と法規制

安全データ

毒性
dni-uns 45 mg/L JANTAJ 37,253,1984

化学と産業

薬理情報

MeSH Pharmacological Classification · 4 件

Agents that kill parasitic worms. They are used therapeutically in the treatment of HELMINTHIASIS in man and animal.

Substances that are destructive to protozoans.

Pesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics.

Drugs that bind to and activate excitatory amino acid receptors.

サプライヤー16 社

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
Protheragen-ING+86-15618352007 · [email protected]
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]

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