TL;DR: Ivermectin-luminol (CAS 122047-12-5) is a chemical compound with molecular formula C66H96N4O18 and molecular weight 1232.672 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[6-[6-[(10E,14E,16E)-6'-butan-2-yl-21,24-dihydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] 4-[4-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-ethylamino]butylamino]-4-oxobutanoate
Also Known As: Ivermectin luminol, Ivermectin-luminol, 22,23-Dihydroavermectin B(1a)-4''-(4-((4-(ethyl(1,2,3,4-tetrahydro-1,4-dioxo-6-phthalazinyl)amino)butyl)amino)-4-oxobutanoate), [6-[6-[(10E,14E,16E)-6'-butan-2-yl-21,24-dihydroxy-5',11,13,22-tetramethyl-2-oxospiro[3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-12-yl]oxy-4-methoxy-2-methyloxan-3-yl]oxy-4-methoxy-2-methyloxan-3-yl] 4-[4-[(1,4-dioxo-2,3-dihydrophthalazin-6-yl)-ethylamino]butylamino]-4-oxobutanoate, 22,23-Dihydroavermectin B(1a)-4'-(4-((4-(ethyl(1,2,3,4-tetrahydro-1,4-dioxo-6-phthalazinyl)amino)butyl)amino)-4-oxobutanoate)
| Molecular Formula | C66H96N4O18 |
| Molecular Weight | 1232.672 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 267.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 20 |
| Exact Mass | 1232.672 Da |
| Heavy Atoms | 88 |
| Complexity | 2560.0 |
| SMILES | CCC(C)C1C(CCC2(O1)CC3CC(O2)C/C=C(/C(C(/C=C/C=C/4\COC5C4(C(C=C(C5O)C)C(=O)O3)O)C)OC6CC(C(C(O6)C)OC7CC(C(C(O7)C)OC(=O)CCC(=O)NCCCCN(CC)C8=CC9=C(C=C8)C(=O)NNC9=O)OC)OC)\C)C |
| InChIKey | WQLHCVQBESMZGD-ZJZUZUJASA-N |
The XLogP value of 5.3 indicates that Ivermectin-luminol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 267.0 Ų indicates high polarity, suggesting Ivermectin-luminol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ivermectin-luminol has 5 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ivermectin-luminol is 122047-12-5.
The molecular formula of Ivermectin-luminol is C66H96N4O18.
The molecular weight of Ivermectin-luminol is 1232.672 g/mol.
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