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113507-06-5

Basic Information
CAS No.: 113507-06-5
Name: Moxidectin
Article Data: 4
Molecular Structure:
Molecular Structure of 113507-06-5 (Moxidectin)
Formula: C37H53NO8
Molecular Weight: 639.83
Synonyms: MilbemycinB, 5-O-demethyl-28-deoxy-25-(1,3-dimethyl-1-butenyl)-6,28-epoxy-23-(methoxyimino)-,[6R,23E,25S(E)]-;Milbemycin B,5-O-demethyl-28-deoxy-25-[(1E)-1,3-dimethyl-1-butenyl]-6,28-epoxy-23-(methoxyimino)-,(6R,23E,25S)- (9CI);23-Methoxime-LL-F 28249a;CL 301423;ProHeart 6;Quest;Quest (parasiticide);Vetdectin Oral Drench;Milbemycin B,5-O-demethyl-28-deoxy-25-(1,3-dimethyl-1-buten-1-yl)-6,28-epoxy-23-(methoxyimino)-,(6R,23E,25S)-;
EINECS: 635-129-7
Density: 1.23 g/cm3
Melting Point: 132 °C
Boiling Point: 790 ºC at 760 mmHg
Flash Point: 431.6 ºC
Appearance: Appearance White or pale yellow, amorphous powder
Hazard Symbols: T,N
Risk Codes: 25-50
Safety: 45-61-24/25
PSA: 116.04000
LogP: 5.72890
Synthetic route
112124-81-9

23-oxynemadectin

113507-06-5

moxidectin

Conditions
ConditionsYield
With N-methoxylamine hydrochloride; sodium acetate In methanol at -10 - 0℃; for 8h;88.6%
593-56-6

N-methoxylamine hydrochloride

112124-81-9

23-oxynemadectin

113507-06-5

moxidectin

Conditions
ConditionsYield
With sodium acetate In methanol; water for 1h; Ambient temperature;80%
With sodium acetate In methanol at -15℃; for 0.5h;
Stage #1: N-methoxylamine hydrochloride; 23-oxynemadectin With sodium acetate; acetic acid In 1,4-dioxane at 20℃; for 10h; Inert atmosphere;
Stage #2: With toluene-4-sulfonic acid In methanol at 0℃; for 4h; Temperature; Reagent/catalyst;
0.015 mol
113462-09-2

C38H52O9

113507-06-5

moxidectin

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: de-esterification
2: 80 percent / NaOAc / methanol; H2O / 1 h / Ambient temperature
View Scheme
108702-57-4

C38H54O9

113507-06-5

moxidectin

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: pyridinium dichromate / or Swern oxidation
2: de-esterification
3: 80 percent / NaOAc / methanol; H2O / 1 h / Ambient temperature
View Scheme

nemadectin

113507-06-5

moxidectin

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1: 4-methyl-morpholine; triethylamine / dichloromethane / 20 - 25 °C
2: O-phenyl phosphorodichloridate; triethylamine; Isopropyl acetate / dichloromethane; dimethyl sulfoxide / -25 - 35 °C
3: sodium acetate / dichloromethane; methanol / -13 °C
4: sodium hydroxide; methanol / dichloromethane / -13 °C
View Scheme
Multi-step reaction with 4 steps
1: 4-methyl-morpholine; triethylamine / dichloromethane / 20 - 25 °C
2: O-phenyl phosphorodichloridate; triethylamine; Isopropyl acetate / dichloromethane; dimethyl sulfoxide / -25 - 35 °C
3: sodium hydroxide; methanol / dichloromethane / -13 °C / Inert atmosphere
4: sodium acetate / methanol / 0.5 h / -15 °C
View Scheme

5-(4-chlorophenoxyacetyl)oxynemadectin

113507-06-5

moxidectin

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: O-phenyl phosphorodichloridate; triethylamine; Isopropyl acetate / dichloromethane; dimethyl sulfoxide / -25 - 35 °C
2: sodium acetate / dichloromethane; methanol / -13 °C
3: sodium hydroxide; methanol / dichloromethane / -13 °C
View Scheme
Multi-step reaction with 3 steps
1: O-phenyl phosphorodichloridate; triethylamine; Isopropyl acetate / dichloromethane; dimethyl sulfoxide / -25 - 35 °C
2: sodium hydroxide; methanol / dichloromethane / -13 °C / Inert atmosphere
3: sodium acetate / methanol / 0.5 h / -15 °C
View Scheme
113507-06-5

moxidectin

119718-45-5

moxidectin

Conditions
ConditionsYield
With 2-Mercaptobenzothiazole In toluene Heating;
Raw Materials
593-56-6
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Chemistry

Molecular Structure of Moxidectin (CAS NO.113507-06-5):

Systematic Name: (2aE,4E,4'Z,5'S,6R,6'S,8E,11R,13R,15S,17aR,20R,20aR,20bS)-6'-[(1E)-1,3-Dimethylbut-1-en-1-yl]-20,20b-dihydroxy-4'-(methoxyimino)-5',6,8,19-tetramethyl-3',4',5',6,6',7,10,11,14,15,17a,20,20a,20b-tetrad ecahydro-2H,17H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-pyran]-17-one
Molecular Weight: 639.81862 [g/mol]
Molecular Formula: C37H53NO8
XLogP3-AA: 4.3
H-Bond Donor: 2
H-Bond Acceptor: 9 
Index of Refraction: 1.581
Molar Refractivity: 172.46 cm3
Molar Volume: 517.1 cm3
Surface Tension: 41.3 dyne/cm
Density: 1.23 g/cm3
Flash Point: 431.6 °C
Enthalpy of Vaporization: 130.93 kJ/mol
Boiling Point: 790 °C at 760 mmHg
Vapour Pressure: 7.61E-29 mmHg at 25 °C
storage temp.: 2-8 °C
Classification Code: Anthelmintics; Antinematodal Agents; Antiparasitic [veterinary]; Insecticides
Product Categories: Anthelmintic, antiparasitic.; METI - MZAntibiotics; MLSAnalytical Standards; Antibiotics; BacteriostaticAntibiotics; beta-Lactam StructureAlphabetic; Chemical Structure; Chromatography; M; Pharmacology Standards; Principle

Uses

 Moxidectin (CAS NO.113507-06-5) is a parasiticide used for the prevention and control of heartworm and intestinal worms, and can be found in treatments prescribed for animals such as dogs, cats, horses, cattle and sheep. It is also used for the prevention of red mite in caged birds. Application methods for moxidectin vary by treatment, and include oral, topical, and injectable solutions.

Safety Profile

Safety Information of Moxidectin (CAS NO.113507-06-5):
RIDADR: 2588
HazardClass: 6.1(b)
PackingGroup: III

Specification

  Moxidectin (CAS NO.113507-06-5), its Synonyms are (6R,25S)-5-O-Demethyl-28-deoxy-25-((E)-1,3-dimethyl-1-butenyl)-6,28-epoxy-23-oxomilbemycin B 23-(E)-(O-methyloxime) ; CL 301,423 ; Cydectin ; Milbemycin B, 5-O-demethyl-28-deoxy-25-(1,3-dimethyl-1-butenyl)-6,28-epoxy-23-(methoxyimino)-, (6R,23E,25S(E))- ; (2aE,4E,5'R,6R,6'S,8E,11R,13S,15S,17aR,20R,20aR,20bS)-6'-((E)-1,3-Dimethyl-1-butenyl)-5',6,6',7,10,11,14,15,17a,20,20a,20b-dodecahydro-20,20b-dihydroxy-5',6,8,19-tetramethylspiro(11,15-methano-2H,13H,17H-furo(4,3,2-pq)(2,6)benzodioxacyclooctadecin-13,2'-(2H)pyran)-4',17(3'H)-dione 4'-(E)-(O-methyloxime) .

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