Cethromycin
[CAS# 205110-48-1]

Identification

• Name: Cethromycin
• Synonyms: (1S,2R,5R,7R,8R,9S,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2-Ethyl-1,5,7,9,11,13-Hexamethyl-9-[(E)-3-(3-Quinolyl)Prop-2-Enoxy]-3,17-Dioxa-15-Azabicyclo[12.3.0]Heptadecane-4,6,12,16-Tetrone; (1S,2R,5R,7R,8R,9S,11R,13R,14R)-8-[[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Ethyl-1,5,7,9,11,13-Hexamethyl-9-[(E)-3-(3-Quinolyl)Prop-2-Enoxy]-3,17-Dioxa-15-Azabicyclo[12.3.0]Heptadecane-4,6,12,16-Tetrone; (1S,2R,5R,7R,8R,9S,11R,13R,14R)-8-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2-Ethyl-1,5,7,9,11,13-Hexamethyl-9-[(E)-3-(3-Quinolyl)Prop-2-Enoxy]-3,17-Dioxa-15-Azabicyclo[12.3.0]Heptadecane-4,6,12,16-Diquinone
• Molecular Formula: C₄₂H₅₉N₃O₁₀
• Molecular Weight: 765.94
• CAS Registry Number: 205110-48-1
• SMILES: [C@H]15NC(O[C@@]1([C@H](OC(=O)[C@@H](C(=O)[C@@H]([C@@H](O[C@@H]2O[C@@H](C[C@H](N(C)C)[C@H]2O)C)[C@@](OC\C=C\C4=CC3=CC=CC=C3N=C4)(C[C@H](C(=O)[C@@H]5C)C)C)C)C)CC)C)=O
• InChI: 1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/b15-14+/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41+,42-/m1/s1
• InChIKey: PENDGIOBPJLVBT-HMMOOPTJSA-N

Properties

• Density: 1.23g/cm³ (Cal.)
• Boiling point: 927.125°C at 760 mmHg (Cal.)
• Flash point: 514.506°C (Cal.)