abamectine

Key facts

Drug.IUPAC_name

Mixture of:(10E,14E,16E)-(1R,4S,5′S,6S,6′R,8R,12S,13S,20R,21R,24S)-6′-[(S)-sec-butyl]-21,24-dihydroxy-5′,11,13,22-tetramethyl-2-oxo-(3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene)-6-spiro-2′-(5′,6′-dihydro-2′H-pyran)-12-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)-3-O-methyl-α-L-arabino-hexopyranosideand(10E,14E,16E)-(1R,4S,5′S,6S,6′R,8R,12S,13S,20R,21R,24S)-21,22-dihydroxy-6′-isopropyl-5′,11,13,22-tetramethyl-2-oxo-(3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene)-6-spiro-2′-(5′,6′-dihydro-2′H-pyran)-12-yl 2,6-dideoxy-4-O-(2,6-dideoxy-3-O-methyl-α-L-arabino-hexopyranosyl)-3-O-methyl-α-L-arabino-hexopyranoside

Drug.image

Avermectins.png

Drug.image_class

skin-invert-image

Drug.width

300

Drug.imageL

Abamectin B1a.png

Drug.image_classL

bg-transparent

Drug.widthL

150

Drug.imageR

Abamectin B1b.png

Drug.image_classR

bg-transparent

Drug.widthR

150

Drug.legal_AU

S5

Drug.legal_AU_comment

/S6

Drug.Jmol

None

Drug.CAS_number

71751-41-2

Drug.ATCvet

yes

Drug.ATC_prefix

P54

Drug.ATC_suffix

AA02

Drug.ChemSpiderID

8095964

via Wikipedia infobox

Chemical data

Formula

C95H142O28

Molecular weight

1732.1 g/mol

IUPAC name

(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)-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'-tetramethyl-2-propan-2-ylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one

SMILES

CCC(C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)O)OC)OC)\C)C.C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)\C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C(C)C)C)O

InChIKey

IBSREHMXUMOFBB-MVGRHBATSA-N

Polar surface area

340 Ų

H-bond donors

6

H-bond acceptors

28

Formal charge

0

via PubChem

Drug data · ChEMBL

Molecule type

Small molecule

via ChEMBL · EBI

• Abamectin as a pesticide for agricultural use.Acta Leidensia · 1990
• Abamectin promotes behavior changes and liver injury in zebrafish.Chemosphere · 2023
• Abamectin Causes Neurotoxicity in Zebrafish Embryos.International journal of molecular sciences · 2025
• MRI brain findings of Abamectin toxic encephalopathy: a case report with review of literature.Emergency radiology · 2023
• Abamectin exposure causes chronic toxicity and trypsin/chymotrypsin damages in Chironomus kiiensis Tokunaga (Diptera: Chironomidae).Pesticide biochemistry and physiology · 2024

via PubMed

Wikidata facts

Subclass of

mixture

Image

AvermectinB1aB1b.svg

Has use

insecticide

via Wikidata · CC0