Avermectin

HCID 6858006CAS 73989-17-0

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Grundinformationen

Standard-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
Summenformel: C48H72O14
Durchschnittliche Molmasse: 873,1 g/mol
Monoisotopische Masse: 872,49220697

Namen und Bezeichner

Bevorzugter Name: 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
Englischer Name: AVERMECTIN
Summenformel: C44H66O14
Molmasse: 818.98644

Namen und Synonyme

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

Weitere Namen anzeigen

SongxianguangAverMectin FDAAvermectin (type unspecified)

RRZXIRBKKLTSOM-VDYLCOMISA-NNP500LMPK04000024STK801959AKOS005622621CCG-270547SMR0047033692-yl]oxy}-5,11',13',22'-tetramethyl-5,6-dihydro-3',7',1

Datenbank-Bezeichner

CAS: 73989-17-0
PubChem CID: 6858006
ChEMBL: CHEMBL80025

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,8
Polarare Oberfläche (TPSA): 170 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 14
Frei drehbare Bindungen: 8
Schwere Atome: 62
Formalladung: 0
Komplexität: 1.730

Sicherheit und Regulatorisches

Sicherheitsdaten

Toxizität: dni-uns 45 mg/L JANTAJ 37,253,1984

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 4 Einträge

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.