Tilmicosin phosphateProduct ingredient for Tilmicosin
- Name
- Tilmicosin phosphate
- Drug Entry
- Tilmicosin
Tilmicosin is a macrolide antibiotic. It is used in veterinary medicine for the treatment of bovine respiratory disease and ovine respiratory disease associated with Mannheimia haemolytica.
- Accession Number
- DBSALT001661
- Structure
Structure for Tilmicosin phosphate (DBSALT001661)
- Synonyms
- Not Available
- UNII
- SMH7U1S683
- CAS Number
- 137330-13-3
- Weight
- Average: 967.141
Monoisotopic: 966.542936219 - Chemical Formula
- C46H83N2O17P
- InChI Key
- NESIVXZOSKKUDP-ARVJLQODSA-N
- InChI
- InChI=1S/C46H80N2O13.H3O4P/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;1-5(2,3)4/h14-15,19,26-33,35-36,38-46,50,52-54H,13,16-18,20-24H2,1-12H3;(H3,1,2,3,4)/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
- IUPAC Name
- (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; phosphoric acid
- SMILES
- OP(O)(O)=O.CC[C@H]1OC(=O)C[C@@H](O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)[C@@H](O)[C@@H]([C@H]2O)N(C)C)[C@@H](CCN2C[C@@H](C)C[C@@H](C)C2)C[C@@H](C)C(=O)\C=C\C(\C)=C\[C@@H]1CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC
- External Links
- ChemSpider
- 4445657
- ChEMBL
- CHEMBL2105782
- Wikipedia
- Tilmicosin
- Predicted Properties
Property Value Source Water Solubility 0.0484 mg/mL ALOGPS logP 3.34 ALOGPS logP 4.19 Chemaxon logS -4.2 ALOGPS pKa (Strongest Acidic) 12.55 Chemaxon pKa (Strongest Basic) 10.16 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 14 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 186.15 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 232.21 m3·mol-1 Chemaxon Polarizability 95.57 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon