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  • Selamectin
Name:Selamectin
CAS No:220119-17-5

PRODUCT DESCRIPTION

【Name】
Avermectin A1a,25-cyclohexyl-4'-O-de(2,6-dideoxy-3-O-methyl-a-L-arabino-hexopyranosyl)-5-demethoxy-25-de(1-methylpropyl)-22,23-dihydro-5-(hydroxyimino)-,(5Z)-
【CAS Registry number】
220119-17-5
【Synonyms】
Selamectin
Revolution
Stronghold
UNII-A2669OWX9N
LS-187010
UK-124,114
【Molecular Formula】
C43H63NO11 (Products with the same molecular formula)
【Molecular Weight】
769.9604
【Inchi】
InChI=1S/C43H63NO11/c1-24-11-10-14-30-23-50-40-36(44-48)27(4)19-33(43(30,40)47)41(46)52-32-20-31(16-15-25(2)38(24)53-35-21-34(49-6)37(45)28(5)51-35)54-42(22-32)18-17-26(3)39(55-42)29-12-8-7-9-13-29/h10-11,14-15,19,24,26,28-29,31-35,37-40,45,47-48H,7-9,12-13,16-18,20-23H2,1-6H3/b11-10+,25-15+,30-14+,44-36-/t24-,26-,28-,31+,32-,33-,34-,35-,37-,38-,39-,40+,42+,43+/m0/s1
【Canonical SMILES】
CC1CCC2(CC3CC(O2)CC=C(C(C(C=CC=C4COC5C4(C(C=C(C5=NO)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)O)OC)C)OC1C7CCCCC7
【Isomers smiles】
C[C@H]1CC[C@]2(C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4CO[C@H]5
[C@@]4([C@@H](C=C(/C5=N/O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)
C)O)OC)C)O[C@@H]1C7CCCCC7
【MOL File】
220119-17-5.mol

Chemical and Physical Properties

【Density】
1.35 g/cm3
【Boiling Point】
917 °C at 760 mmHg
【Flash Point】
508.4 °C
【Computed Properties】
Molecular Weight:769.96042 [g/mol]
Molecular Formula:C43H63NO11
XLogP3-AA:5.4
H-Bond Donor:3
H-Bond Acceptor:12
Rotatable Bond Count:4
Tautomer Count:3
Exact Mass:769.440112
MonoIsotopic Mass:769.440112
Topological Polar Surface Area:155
Heavy Atom Count:55
Formal Charge:0
Complexity:1550
Isotope Atom Count:0
Defined Atom Stereocenter Count:14
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:4
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1

Biomedical Effects and Toxicity

【Pharmacological Action】
- Drugs used to treat or prevent parasitic infections.

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