Moxidectin

Molecular Mass: 639.8 g/mol

Formula: C₃₇H₅₃NO₈

Smiles: CO/N=C1\C[C@]2(C[C@@H]3C[C@@H](C/C=C(\C)C[C@@H](C)/C=C/C=C4\CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)O[C@H](/C(C)=C/C(C)C)[C@H]1C

Synonymes:

Moxidectin, Moxidectin, (23Z)-, 119718-45-5, Moxidectin impurity L, TYC529328W, DTXCID3017577, DTXSID00861219, Milbemycin B, 5-O-demethyl-28-deoxy-25-(1,3-dimethyl-1-butenyl)-6,28-epoxy-23-(methoxyimino)-, (6R,23Z,25S(E))-, RefChem:1090030, (1R,4S,4'Z,5'S,6R,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-6'-[(E)-4-methylpent-2-en-2-yl]spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one, Moxidectin EP Impurity L, C37H53NO8, CAS-113507-06-5, UNII-TYC529328W, NCGC00182083-02, NCGC00183118-01, Milbemycin B, 5-O-demethyl-28-deoxy-25-(1,3-dimethyl-1-butenyl)-6,28-epoxy-23-(methoxyimino)-, [6R,23Z,25S(E)]- (9CI), Spiro[11,15-methano-2H,13H,17H-furo[4,3,2-pq][2,6]benzodioxacyclooctadecin-13,2'-[2H]pyran], milbemycin B deriv., (23Z)-Moxidectin, Moxidectin Imp. L (EP), Moxidectin for veterinary use impurity L [EP], SCHEMBL118876, orb1309571, orb3139896, HMS3264I15, Pharmakon1600-01505394, Tox21_113093, Tox21_113389, NSC760424, AKOS037643574, CCG-213416, NCGC00163732-03, AS-16969, M3136, AB01563071_01, SR-05000002058, SR-05000002058-1, BRD-K61988078-001-01-2, MOXIDECTIN FOR VETERINARY USE IMPURITY L [EP IMPURITY], (1R,4S,4'Z,5'S,6R,6'S,8R,10E,13R,14E,16E,20R,21R,24S)-6'-[(E)-1,3-dimethylbut-1-enyl]-21,24-dihydroxy-4'-methoxyimino-5',11,13,22-tetramethyl-spiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-tetrahydropyran]-2-one, (23Z)-moxidectin, (2R,2a'E,2a1'S,4Z,4'E,5S,6S,6'R,8'E,11'R,15'S,17a'R,20'R,20a'R)-2a1',20'-dihydroxy-4-(methoxyimino)-5,6',8',19'-tetramethyl-6-((E)-4-methylpent-2-en-2-yl)-2a1',3,4,5,6,6',7',10',11',14',15',17a',20',20a'-tetradecahydro-2'H,17'H-spiro[pyran-2,13'-[11,15]methano[1,5]dioxacyclooctadecino[9,8,7-cd]benzofuran]-17'-one, (2R,2a'E,2a1'S,4Z,4'E,5S,6S,6'R,8'E,11'R,15'S,17a'R,20'R,20a'R)-2a1',20'-Dihydroxy-4-(methoxyimino)-5,6',8',19'-tetramethyl-6-((E)-4-methylpent-2-en-2-yl)-2a1',3,4,5,6,6',7',10',11',14',15',17a',20',20a'-tetradecahydro-2'H,17'H-spiro[pyran-2,13'-[11,15]methano[1,5]dioxacyclooctadecino[9,8,7-cd]benzofuran]-17'-one, [2'R,2a(3)E,4E,4'Z,5'S,6R,6'S,8E,11R,15S,17aR,20R,20aR,20bS]-20,20b-Dihydroxy-4'-(methoxyimino)-5',6,8,19-tetramethyl-6'-[(2E)-4-methylpent-2-en-2-yl]-6,7,10,11,14,15,17a,20,20a,20b-decahydro-2H,17H-spiro[11,15-methanofuro[4,3,2-pq][2,6]benzodioxacyclooctadecine-13,2'-oxan]-17-one, Pesticide4_Moxidectin_C37H53NO8_(1'R,2R,4Z,4'S,5S,6S,8'R,10'E,13'R,14'E,16'E,20'R,21'R,24'S)-21',24'-Dihydroxy-4-(methoxyimino)-5,11',13',22'-tetramethyl-6-[(2E)-4-methyl-2-penten-2-yl]-3,4,5,6-tetrahydro-2'H-spiro[pyran-2,6'-[3,7,19]trioxatetracyclo[15.6.1.1~4,8~.0~20,24~]pentacosa[10,14,16,22]tetraen]-2'-one

Bioactivity: -

Solubility in Different Solvents

Solvent	Temperature [K]	Crystal form	Solubility [mg/mL]	Reference
Ethanol	278.15	-	626.1	[335]
Ethanol	283.15	-	800.8	[335]
Ethanol	288.15	-	976.1	[335]
Ethanol	293.15	-	1177.6	[335]
Ethanol	298.15	-	1406.3	[335]
Ethanol	303.15	-	1664.0	[335]
Ethanol	308.15	-	1943.2	[335]
Ethanol	313.15	-	2249.6	[335]
Ethanol	318.15	-	2603.9	[335]
Ethanol	323.15	-	3040.2	[335]
Ethylene Glycol	278.15	-	42.27	[335]
Ethylene Glycol	283.15	-	56.81	[335]
Ethylene Glycol	288.15	-	73.1	[335]
Ethylene Glycol	293.15	-	92.07	[335]
Ethylene Glycol	298.15	-	112.7	[335]
Ethylene Glycol	303.15	-	135.1	[335]
Ethylene Glycol	308.15	-	158.4	[335]
Ethylene Glycol	313.15	-	180.5	[335]
Ethylene Glycol	318.15	-	208.4	[335]
Ethylene Glycol	323.15	-	241.8	[335]
Isopropanol	278.15	-	68.48	[335]
Isopropanol	283.15	-	91.29	[335]
Isopropanol	288.15	-	118.4	[335]
Isopropanol	293.15	-	151.3	[335]
Isopropanol	298.15	-	179.1	[335]
Isopropanol	303.15	-	214.4	[335]
Isopropanol	308.15	-	250.9	[335]
Isopropanol	313.15	-	293.3	[335]
Isopropanol	318.15	-	338.4	[335]
Isopropanol	323.15	-	385.5	[335]
Methanol	278.15	-	400.4	[335]
Methanol	283.15	-	504.0	[335]
Methanol	288.15	-	633.3	[335]
Methanol	293.15	-	752.0	[335]
Methanol	298.15	-	905.0	[335]
Methanol	303.15	-	1055.9	[335]
Methanol	308.15	-	1219.5	[335]
Methanol	313.15	-	1381.3	[335]
Methanol	318.15	-	1566.0	[335]
Methanol	323.15	-	1792.1	[335]
Water	278.15	-	0.1333	[335]
Water	283.15	-	0.182	[335]
Water	288.15	-	0.2381	[335]
Water	293.15	-	0.3053	[335]
Water	298.15	-	0.3835	[335]
Water	303.15	-	0.4685	[335]
Water	308.15	-	0.561	[335]
Water	313.15	-	0.6526	[335]
Water	318.15	-	0.7526	[335]
Water	323.15	-	0.8741	[335]

Molecule 3D descriptors

Descriptor	Value
PMI1	6164.9461
PMI2	11269.2167
PMI3	15930.2207
NPR1	0.3870
NPR2	0.7074
RadiusOfGyration	5.1062
InertialShapeFactor	0.0001
Eccentricity	0.9221
Asphericity	0.2572
SpherocityIndex	0.1645
PBF	1.0429