Emamectin B1 Benzoate (Mixture of B1a and B1b)

Basic Information

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CAS Number

137512-74-4

Molecular Formula

C56H81NO15

Molecular Weight

1008.26 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

146-150°C

Specific Rotation

D -6.9° (c = 0.5% in methanol)

SMILES

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CCC(C)C1C(C=CC2(O1)C[C@@H]3CC(O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\COC5C4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@H]([C@H](C(O6)C)O[C@H]7C[C@H]([C@@H](C(O7)C)NC)OC)OC)\C)C.c1ccc(cc1)C(=O)O

InChI

InChI=1S/C49H75NO13.C7H6O2/c1-12-26(2)44-29(5)18-19-48(63-44)24-35-21-34(62-48)17-16-28(4)43(27(3)14-13-15-33-25-56-46-42(51)30(6)20-36(47(52)59-35)49(33,46)53)60-40-23-38(55-11)45(32(8)58-40)61-39-22-37(54-10)41(50-9)31(7)57-39;8-7(9)6-4-2-1-3-5-6/h13-16,18-20,26-27,29,31-32,34-46,50-51,53H,12,17,21-25H2,1-11H3;1-5H,(H,8,9)/b14-13+,28-16+,33-15+;/t26?,27-,29?,31?,32?,34?,35-,36-,37+,38+,39-,40-,41?,42+,43-,44?,45-,46?,48?,49?;/m0./s1

InChIKey

GCKZANITAMOIAR-RMNOYWIUSA-N

LogP

6.989300000000008

pKa

4.2; 7.6(at 25℃)

Topological Polar Surface Area

199.16 Å²

Hydrogen Bond Donor/Acceptor

4 / 16

Complexity

1850

Safety Information

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Toxicity

LD50 in mallard ducks, northern bobwhite quail (mg/kg): 76, 264 orally (Chukwudebe)

Synonyms & References

English

Methylamino abamectin benzoate
(4''R)-4''-Deoxy-4''-(methylamino)-avermectin B1 benzoate(salt)
Avermectin b1, 4''-deoxy-4''-(methylamino)-, (4''R)-,benzoate (salt)
(4''r)-4''-deoxy-4''-(methylamino)avermectin b1 benzoate
(2aE,4E,5'S,6S,6'R,7S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-20,20b-dihydroxy-5',6,8,19-tetramethyl-6'-[(1S)-1-methylpropyl]-17-oxo-5',6,6',10,11,14,15,17,17a,20,20a,20b-dodecahydro-2H,7H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-7-yl 2,6-dideoxy-3-O-methyl-4-O-[2,4,6-trideoxy-3-O-methyl-4-(methylammonio)-α-L-arabino-hexopyranosyl]-α-L-arabino-hexopyranoside benzoate
(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-[(2R)-2-Butanyl]-21',24'-dihydroxy-5,11',13',22'-tetramethyl-2'-oxo-5,6-dihydrospiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.14,8.020,24]pentacosa[10,14,16,22]tetraen]-12'-yl 2,6-dideoxy-3-O-methyl-4-O-[2,4,6-trideoxy-3-O-methyl-4-(methylammonio)-β-L-arabino-hexopyranosyl]-β-L-arabino-hexopyranoside benzoate
Emanectin Benzoate
Epimethylamino-4''-deoxyavermectin b1a and b1b benzoates
emamectin,benzoate
Emamectin B1 Benzoate (Mixture of B1a and B1b)

FAQ

What regulatory guidelines apply to Emamectin B1 Benzoate (CAS: 137512-74-4)?

Emamectin B1 Benzoate (CAS: 137512-74-4) is subject to regulation under the Globally Harmonized System (GHS) for Classification and Labeling of Chemicals, REACH regulations for substances placed on the European market, and FDA/EPA regulations for pesticides and pharmaceuticals. Proper labeling, storage, and handling instructions are mandated to ensure safety and compliance with these guidelines.

Are there alternatives to Emamectin B1 Benzoate (CAS: 137512-74-4) in synthesis?

Alternatives to Emamectin B1 Benzoate (CAS: 137512-74-4) in synthesis include related benzoate esters and other macrocyclic lactones. Common isomers and analogs can serve as effective substitutes, providing similar biological activity while potentially offering different chemical properties and synthesis pathways.

What is the market or research trend for Emamectin B1 Benzoate (CAS: 137512-74-4)?

The market for Emamectin B1 Benzoate (CAS: 137512-74-4) shows a steady demand, particularly in the agriculture and veterinary sectors for pest control. Research trends focus on understanding its mechanism of action, developing resistance management strategies, and exploring its potential in biotechnology and pharmaceutical applications.

How should waste containing Emamectin B1 Benzoate (CAS: 137512-74-4) be handled?

Waste containing Emamectin B1 Benzoate (CAS: 137512-74-4) should be collected in leak-proof containers and stored in a secure, well-ventilated area. Proper disposal should be handled by a professional waste management company, following local regulations. Incineration is a viable option, but ensure compliance with environmental protection measures to minimize ecological impact.