Tylosin (1405-54-5)

The IUPAC name of Pharmasin is (2R,3R)-2,3-dihydroxybutanedioic acid;2-[(4R,5S,7R,9R,11E,13E,16R)-6-[(2R,3R,4R,5S,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5,9,13-trimethyl-2,10-dioxo-1-oxacyclohexadeca-11,13-dien-7-yl]acetaldehyde. With the CAS registry number 1405-54-5, it is also named as Tylosin tartrate. The product's categories are miscellaneous biochemicals; veterinaries. It is white to light yellow powder which have effects on mycoplasma. So it is priority drug in the treatment of mycoplasma disease.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.85; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 24; (4)#H bond donors: 9; (5)#Freely Rotating Bonds: 23; (6)Polar Surface Area: 353.73 ?2; (7)Flash Point: 628.9 °C; (8)Enthalpy of Vaporization: 185.66 kJ/mol; (9)Boiling Point: 1116.3 °C at 760 mmHg; (10)Vapour Pressure: 0 mmHg at 25°C; (11)Rotatable Bond Count: 16; (12)Tautomer Count: 28; (13)Exact Mass: 1065.535588; (14)MonoIsotopic Mass: 1065.535588; (15)Topological Polar Surface Area: 354; (16)Heavy Atom Count: 74; (17)Complexity: 1700; (18)Defined Atom StereoCenter Count: 21; (19)Undefined Atom StereoCenter Count: 2; (20)Defined Bond StereoCenter Count: 2; (21)Covalently-Bonded Unit Count: 2.

When you are using this chemical, please be cautious about it as the following:
It may cause sensitization by inhalation and skin contact, so people should not breathe dust. If you want to contact this product, you must wear suitable protective clothing and gloves. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

People can use the following data to convert to the molecule structure.
1. SMILES:OC(=O)C(O)C(O)C(O)=O.CO[C@@H]4[C@H](OC)[C@H](O)[C@@H](C)O[C@H]4OCC3/C=C(\C)/C=C/C(=O)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]1C[C@@](C)(O)[C@@H](O)[C@H](C)O1)[C@H](N(C)C)[C@H]2O)[C@@H] (C)[C@H](O)CC(=O)O[C@@H]3CC
2. InChI:InChI=1/C46H77NO17.C4H6O6/c1-13-33-30(22-58-45-42(57-12)41(56-11)37(52)26(5)60-45)18-23(2)14-15-31(49)24(3)19-29(16-17-48)39(25(4)32(50)20-34(51)62-33)64-44-38(53)36(47(9)10)40(27(6)61-44)63-35-21-46(8,55)43(54)28(7)59-35;5-1(3(7)8)2(6)4(9)10/h14-15,17-18,24-30,32-33,35-45,50,52-55H,13,16,19-22H2,1-12H3;1-2,5-6H,(H,7,8)(H,9,10)/b15-14+,23-18+;/t24-,25+,26-,27-,28+,29+,30?,32-,33-,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46-;/m1./s1

The following are the toxicity data which has been tested.