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Milbemycin oxime - CAS 129496-10-2

Milbemycin oxime (CAS 129496-10-2) is a veterinary drug from the group of milbemycins, used as a broad spectrum antiparasitic.

Catalog Number: A001227

CAS Number: 129496-10-2

Molecular Formula: 2C31H43NO7 (A3:80%) and 2C32H45NO7 (A4:20%)

Molecular Weight:2194.8

Purity: ≥95%

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* For research use only. Not for human or veterinary use.

Synonym

SynonymsMilbemycin A 5-oxime; Milbemite; Trifexis; Milbemycin oxime; Interceptor; Milbe Mite

Property

Molecular Formula: 2C31H43NO7 (A3:80%) and 2C32H45NO7 (A4:20%)
Molecular Weight2194.8
SolubilityDMSO: 35 mg/mL
Purity≥95%
Storage-20°C

Computed Descriptor

IUPAC Name(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21E,24S)-6'-ethyl-24-hydroxy-21-hydroxyimino-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21Z,24S)-6'-ethyl-24-hydroxy-21-hydroxyimino-5',11,13,22-tetramethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21E,24S)-24-hydroxy-21-hydroxyimino-5',6',11,13,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;(1R,4S,5'S,6R,6'R,8R,10E,13R,14E,16E,20R,21Z,24S)-24-hydroxy-21-hydroxyimino-5',6',11,13,22-pentamethylspiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one
InChIInChI=1S/2C32H45NO7.2C31H43NO7/c2*1-6-27-21(4)12-13-31(40-27)17-25-16-24(39-31)11-10-20(3)14-19(2)8-7-9-23-18-37-29-28(33-36)22(5)15-26(30(34)38-25)32(23,29)35;2*1-18-7-6-8-23-17-36-28-27(32-35)21(4)14-26(31(23,28)34)29(33)37-25-15-24(10-9-19(2)13-18)39-30(16-25)12-11-20(3)22(5)38-30/h2*7-10,15,19,21,24-27,29,35-36H,6,11-14,16-18H2,1-5H3;2*6-9,14,18,20,22,24-26,28,34-35H,10-13,15-17H2,1-5H3/b8-7+,20-10+,23-9+,33-28+;8-7+,20-10+,23-9+,33-28-;7-6+,19-9+,23-8+,32-27+;7-6+,19-9+,23-8+,32-27-/t2*19-,21-,24+,25-,26-,27+,29+,31+,32+;2*18-,20-,22+,24+,25-,26-,28+,30-,31+/m0000/s1
InChIKeyLKMMLHTWKLEARD-OAXGTHRDSA-N
SMILESCCC1C(CCC2(O1)CC3CC(O2)CC=C(CC(C=CC=C4COC5C4(C(C=C(C5=NO)C)C(=O)O3)O)C)C)C.CCC1C(CCC2(O1)CC3CC(O2)CC=C(CC(C=CC=C4COC5C4(C(C=C(C5=NO)C)C(=O)O3)O)C)C)C.CC1CCC2(CC3CC(O2)CC=C(CC(C=CC=C4COC5C4(C(C=C(C5=NO)C)C(=O)O3)O)C)C)OC1C.CC1CCC2(CC3CC(O2)CC=C(CC(C=CC=C4COC5C4(C(C=C(C5=NO)C)C(=O)O3)O)C)C)OC1C