1.0 2016-05-22 05:27:36 UTC 2026-05-14 19:09:56 UTC Tilmicosin SmallMolecule Tilmicosin is an organic compound with the chemical formula C46H80N2O13. Tilmicosin belongs to the carbohydrates and carbohydrate conjugates, a subclass of organooxygen compounds within the organic compounds. With an average molecular weight of 869.15 g/mol, Tilmicosin is a heavy molecule. This compound is found in or released from three recorded sources: drinking water, antibiotics within healthcare, pharmaceuticals and veterinary products, and non-electric simulated smoking devices among household cleaning and consumer products. Recorded exposure routes for Tilmicosin include oral and inhalation. C46H80N2O13 869.147 868.566040644 (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-{[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-7-{2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl}-16-ethyl-4-hydroxy-15-({[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}methyl)-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione tilmicosin 108050-54-0 [H]\C1=C([H])/C(=O)[C@]([H])(C)C[C@]([H])(CCN2C[C@]([H])(C)C[C@]([H])(C)C2)[C@]([H])(O[C@]2([H])O[C@]([H])(C)[C@@]([H])(O)[C@]([H])(N(C)C)[C@@]2([H])O)[C@@]([H])(C)[C@]([H])(O)CC(=O)O[C@]([H])(CC)[C@@]([H])(CO[C@]2([H])O[C@]([H])(C)[C@@]([H])(O)[C@@]([H])(OC)[C@@]2([H])OC)C([H])=C1C InChI=1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/b15-14+,25-19+/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-/m1/s1 JTSDBFGMPLKDCD-XVFHVFLVSA-N Organic compounds Nucleosides, nucleotides, and analogues Imidazole ribonucleosides and ribonucleotides Imidazole ribonucleosides and ribonucleotides Aminoimidazoles Azacyclic compounds Carboximidic acids Glycosylamines Heteroaromatic compounds Hydrocarbon derivatives N-substituted imidazoles Organopnictogen compounds Oxacyclic compounds Pentoses Primary alcohols Primary amines Secondary alcohols Tetrahydrofurans Alcohol Amine Aminoimidazole Aromatic heteromonocyclic compound Azacycle Azole Carboximidic acid Carboximidic acid derivative Glycosyl compound Heteroaromatic compound Hydrocarbon derivative Imidazole Imidazole ribonucleoside Monosaccharide N-glycosyl compound N-substituted imidazole Organic nitrogen compound Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Pentose monosaccharide Primary alcohol Primary amine Secondary alcohol Tetrahydrofuran Aromatic heteromonocyclic compounds 1-ribosylimidazolecarboxamide aminoimidazole nucleoside analogue Detected and Not Quantified logp 4.19 logp 3.34 ALOGPS logs -4.25 ALOGPS solubility 4.84e-02 g/l ALOGPS logp 4.19 ChemAxon pka_strongest_acidic 12.55 ChemAxon pka_strongest_basic 9.58 ChemAxon iupac (4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-{[(2R,3R,4S,5S,6R)-4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy}-7-{2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethyl}-16-ethyl-4-hydroxy-15-({[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxy}methyl)-5,9,13-trimethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione ChemAxon average_mass 869.147 ChemAxon mono_mass 868.566040644 ChemAxon smiles [H]\C1=C([H])/C(=O)[C@]([H])(C)C[C@]([H])(CCN2C[C@]([H])(C)C[C@]([H])(C)C2)[C@]([H])(O[C@]2([H])O[C@]([H])(C)[C@@]([H])(O)[C@]([H])(N(C)C)[C@@]2([H])O)[C@@]([H])(C)[C@]([H])(O)CC(=O)O[C@]([H])(CC)[C@@]([H])(CO[C@]2([H])O[C@]([H])(C)[C@@]([H])(O)[C@@]([H])(OC)[C@@]2([H])OC)C([H])=C1C ChemAxon formula C46H80N2O13 ChemAxon inchi InChI=1S/C46H80N2O13/c1-13-36-33(24-57-46-44(56-12)43(55-11)40(53)31(8)59-46)19-25(2)14-15-34(49)28(5)20-32(16-17-48-22-26(3)18-27(4)23-48)42(29(6)35(50)21-37(51)60-36)61-45-41(54)38(47(9)10)39(52)30(7)58-45/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3/b15-14+,25-19+/t26-,27+,28-,29+,30-,31-,32+,33-,35-,36-,38+,39-,40-,41-,42-,43-,44-,45+,46-/m1/s1 ChemAxon inchikey JTSDBFGMPLKDCD-XVFHVFLVSA-N ChemAxon polar_surface_area 186.15 ChemAxon refractivity 232.21 ChemAxon polarizability 97.71 ChemAxon rotatable_bond_count 12 ChemAxon acceptor_count 14 ChemAxon donor_count 4 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon #<HealthEffect::ActiveRecord_Associations_CollectionProxy:0x00007f722336eec0> DB11471 5282521 4445656