Flurithromycin
[CAS# 82664-20-8]

Identification

• Name: Flurithromycin
• Synonyms: (3R,4S,5S,6R,7R,9S,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Ethyl-9-Fluoro-7,12,13-Trihydroxy-4-[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-3,5,7,9,11,13-Hexamethyl-1-Oxacyclotetradecane-2,10-Dione; (3R,4S,5S,6R,7R,9S,11R,12R,13S,14R)-6-[[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-14-Ethyl-9-Fluoro-7,12,13-Trihydroxy-4-[[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-2-Tetrahydropyranyl]Oxy]-3,5,7,9,11,13-Hexamethyl-1-Oxacyclotetradecane-2,10-Dione; (3R,4S,5S,6R,7R,9S,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-14-Ethyl-9-Fluoro-7,12,13-Trihydroxy-4-[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-3,5,7,9,11,13-Hexamethyl-1-Oxacyclotetradecane-2,10-Quinone
• Molecular Formula: C₃₇H₆₆FNO₁₃
• Molecular Weight: 751.93
• CAS Registry Number: 82664-20-8
• SMILES: [C@@H]2([C@@H]([C@@H](O[C@H]1[C@@H]([C@H](C[C@H](O1)C)N(C)C)O)[C@](C[C@](C([C@H](C)[C@H]([C@]([C@H](OC([C@@H]2C)=O)CC)(C)O)O)=O)(C)F)(C)O)C)O[C@H]3C[C@]([C@@H](O)[C@@H](O3)C)(OC)C
• InChI: 1S/C37H66FNO13/c1-14-24-37(10,46)29(42)21(5)28(41)34(7,38)17-35(8,45)31(52-33-26(40)23(39(11)12)15-18(2)48-33)19(3)27(20(4)32(44)50-24)51-25-16-36(9,47-13)30(43)22(6)49-25/h18-27,29-31,33,40,42-43,45-46H,14-17H2,1-13H3/t18-,19+,20-,21+,22+,23+,24-,25+,26-,27+,29-,30+,31-,33+,34+,35-,36-,37-/m1/s1
• InChIKey: XOEUHCONYHZURQ-HNUBZJOYSA-N

Properties

• Density: 1.229g/cm³ (Cal.)
• Boiling point: 814.609°C at 760 mmHg (Cal.)
• Flash point: 446.46°C (Cal.)

References

• (1): Purser Sophie. Fluorine in medicinal chemistry, Chemical Society Reviews, 2008