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| CAS No.: | 108050-54-0 |
|---|---|
| Name: | Tilmicosin |
| Molecular Structure: | |
|
|
| Formula: | C46H80N2O13 |
| Molecular Weight: | 869.15 |
| Synonyms: | Tilmicosinum [INN-Latin];Tylosin, 4A-O-de(2,6-dideoxy-3-C-methyl-alpha-L-ribo-hexopyranosyl)-20-deoxo-20-(3,5-dimethyl-1-piperidinyl)-;EL 870;Micotil 300;Tilmicosin [USAN:BAN:INN];Tilmicosina [INN-Spanish];Micotil (TN);Micotil;Tilmicosine [INN-French];Tilmicosin Base;Tilmicosin base (USP);Tilmicosin base (USP29);Tilmicosin Solution; |
| EINECS: | 639-676-2 |
| Density: | 1.18 g/cm3 |
| Boiling Point: | 926.6 °C at 760 mmHg |
| Flash Point: | 514.2 °C |
| PSA: | 186.15000 |
| LogP: | 3.27930 |
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Specification
1. Introduction of Tilmicosin
The CAS registry number of Tilmicosin is 108050-54-0. In addition, the molecular formula is C46H80N2O13. What's more, it is a semi-synthetic antibiotic which can be used for treatment and prevention the pneumonia in cattle, pigs and sheep. And it also can treat the infectious disease which may be caused by pay-off bacillus, pasteurella and mycoplasma.
2. Properties of Tilmicosin
Physical properties about Tilmicosin are: (1)ACD/LogP: 4.95; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 0.9; (4)ACD/LogD (pH 7.4): 2.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 11.13; (7)ACD/KOC (pH 5.5): 1.05; (8)ACD/KOC (pH 7.4): 38.32; (9)#H bond acceptors: 15; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 142.15 Å2; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 232.37 cm3; (15)Molar Volume: 734.7 cm3; (16)Polarizability: 92.12 ×10-24cm3; (17)Surface Tension: 50.7 dyne/cm; (18)Density: 1.18 g/cm3; (19)Flash Point: 514.2 °C; (20)Enthalpy of Vaporization: 152.95 kJ/mol; (21)Boiling Point: 926.6 °C at 760 mmHg.
3. Structure Descriptors of Tilmicosin
(1)SMILES: O=C4\C=C\C(=C\[C@H](CO[C@@H]1O[C@H](C)[C@@H](O)[C@@H](OC)[C@H]1OC)[C@H](OC(=O)C[C@@H](O)[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](O)[C@H](N(C)C)[C@H]2O)C)[C@@H](CCN3C[C@H](C)C[C@H](C)C3)C[C@H]4C)C)CC)C
(2)InChI: InChI=1/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
(3)InChIKey: JTSDBFGMPLKDCD-XVFHVFLVBD
4. Use of Tilmicosin
Tilmicosin is used in veterinary medicine for the treatment of bovine respiratory disease and ovine respiratory disease associated with Mannheimia (Pasteurella) haemolytica.