Abamectin
Category:
CAS:
Description:
Avermectin B1 (Abamectin) is a widely used insecticide and anthelmintic. It is a mixture of avermectins containing more than 80% avermectin B1a and less than 20% avermectin B1b, which have very similar biological and toxicological properties. Avermectin B1 is a natural fermentation product of this bacterium.
| CID | 6435890 |
| Synonyms | Avomec; Agri-Mek; Avid; Agrimek; Vertimec; Affirm; Zephyr; MK 936; MK 0936; NSC 758202; Avermectin B1; MK-936; Spiro[11,15-methano-2H,13H,17H-furo[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2'-[2H]pyran], avermectin B1 deriv.; A 14906; A 8612; Abamektin; Abamitel; Abarex; Abastate; Abastate EW; Abathor; Abba; Agador; AgMectin; Agri-Mek; Agri-Mek SC; Agrimec; Avermectin B1a-Avermectin B1b mixt.; Aversectin S; Avert; Avicta; Avicta 400FS; Avid 0.15EC; CHA 2061; CHA 2062; Dalamectin; Dalamektin; Epi-Mek; Fitoverm; Fitoverm M; Genesis Oral Drench; Genesis Pour-on for Cattle and Deer; Kraft; KRAFT 36 EC; L 676; Lirosect; Lyrosekt; Mectin; Phytoverm; PT 310; Rustomectin; STAN; Temprano; Vermitec; Vertigo (pesticide); Vertigo 018EC; Vertimec 018SC; Zoro |
| 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)-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;(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-[(2S)-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 |
| Molecular Weight | 1732.14 |
| Molecular Formula | C48H72O14.C47H70O14 |
| Canonical SMILES | CCC(C)C1C(C=CC2(O1)CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)O)OC)OC)C)C.CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)O)OC)OC)C)OC7(C4)C=CC(C(O7)C(C)C)C)O |
| InChI | InChI=1S/C48H72O14.C47H70O14/c1-11-25(2)43-28(5)17-18-47(62-43)23-34-20-33(61-47)16-15-27(4)42(26(3)13-12-14-32-24-55-45-40(49)29(6)19-35(46(51)58-34)48(32,45)52)59-39-22-37(54-10)44(31(8)57-39)60-38-21-36(53-9)41(50)30(7)56-38;1-24(2)41-27(5)16-17-46(61-41)22-33-19-32(60-46)15-14-26(4)42(25(3)12-11-13-31-23-54-44-39(48)28(6)18-34(45(50)57-33)47(31,44)51)58-38-21-36(53-10)43(30(8)56-38)59-37-20-35(52-9)40(49)29(7)55-37/h12-15,17-19,25-26,28,30-31,33-45,49-50,52H,11,16,20-24H2,1-10H3;11-14,16-18,24-25,27,29-30,32-44,48-49,51H,15,19-23H2,1-10H3/b13-12+,27-15+,32-14+;12-11+,26-14+,31-13+/t25?,26-,28-,30-,31-,33+,34-,35-,36-,37-,38-,39-,40+,41-,42-,43+,44-,45+,47+,48+;25-,27-,29-,30-,32+,33-,34-,35-,36-,37-,38-,39+,40-,41+,42-,43-,44+,46+,47+/m00/s1 |
| InChIKey | IBSREHMXUMOFBB-MVGRHBATSA-N |
| Isomeric 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 |
Producut details
| Formulation | 1.8%EC, 3.6%EC, 5.0%EC, 6.0%EC, 10.0%EC, 1.8%WP |
| Toxicity | Rat: Oral LD50 300 mg/kg. Rabbit: Dermal LD50 >1800 mg/kg. Moderate eye irritation, very slight primary skin irritation |
| Appearance | White or Light Yellow Crystal Powder |
| Boiling Point | 940.9±65.0 °C at 760 mmHg |
| Melting Point | 155-160°C |
| Water | ≤ 3.0 % |
| Shelf Life | Limited shelf life, expiry date on the label |
Chemical and Physical Properties
| Purity | >95% a mixture of B1a and B1b |
| Density | 1.16 g/cm3 |
| Solubility | Soluble in Chloroform (Sparingly, Sonicated), DMSO (Slightly), Ethyl Acetate (Slightly) |
| Storage | Store at -20°C |
| Complexity | 3430 |
| Exact Mass | 1731.9721187 |
| Heavy Atom Count | 123 |
| Hydrogen Bond Acceptor Count | 28 |
| Hydrogen Bond Donor Count | 6 |
| Monoisotopic Mass | 1730.96876387 |
| Rotatable Bond Count | 15 |
| Topological Polar Surface Area | 340 |
Our products are chemical reagents for research use only and are not intended for human use.
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