(9S)-9-Deoxo-9-[[(4-Fluorophenyl)Sulfonyl]Amino]Erythromycin
[CAS# 61066-20-4]

Identification

• Name: (9S)-9-Deoxo-9-[[(4-Fluorophenyl)Sulfonyl]Amino]Erythromycin
• Synonyms: N-[(2R,3S,4R,5S,6S,7R,9R,10R,11S,12S,13R)-10-[(2R,3S,4R,6S)-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2-Ethyl-3,4,9-Trihydroxy-12-[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-3,5,7,9,11,13-Hexamethyl-14-Oxo-1-Oxacyclotetradec-6-Yl]-4-Fluoro-Benzenesulfonamide; N-[(2R,3S,4R,5S,6S,7R,9R,10R,11S,12S,13R)-10-[[(2R,3S,4R,6S)-4-Dimethylamino-3-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-2-Ethyl-3,4,9-Trihydroxy-12-[[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-2-Tetrahydropyranyl]Oxy]-3,5,7,9,11,13-Hexamethyl-14-Oxo-1-Oxacyclotetradec-6-Yl]-4-Fluorobenzenesulfonamide; N-[(2R,3S,4R,5S,6S,7R,9R,10R,11S,12S,13R)-10-[(2R,3S,4R,6S)-4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-2-Ethyl-3,4,9-Trihydroxy-12-[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-14-Keto-3,5,7,9,11,13-Hexamethyl-1-Oxacyclotetradec-6-Yl]-4-Fluoro-Benzenesulfonamide
• Molecular Formula: C₄₃H₇₃FN₂O₁₄S
• Molecular Weight: 893.11
• CAS Registry Number: 61066-20-4
• SMILES: [C@H]4(O[C@H]1O[C@H](C[C@@H](N(C)C)[C@@H]1O)C)[C@](O)(C[C@H]([C@H](N[S](=O)(=O)C2=CC=C(F)C=C2)[C@@H]([C@@H](O)[C@](O)([C@H](OC(=O)[C@@H]([C@@H](O[C@@H]3O[C@H]([C@H](O)[C@](OC)(C3)C)C)[C@@H]4C)C)CC)C)C)C)C
• InChI: 1S/C43H73FN2O14S/c1-14-31-43(10,52)36(48)24(4)33(45-61(53,54)29-17-15-28(44)16-18-29)22(2)20-41(8,51)38(60-40-34(47)30(46(11)12)19-23(3)56-40)25(5)35(26(6)39(50)58-31)59-32-21-42(9,55-13)37(49)27(7)57-32/h15-18,22-27,30-38,40,45,47-49,51-52H,14,19-21H2,1-13H3/t22-,23+,24+,25+,26-,27+,30-,31-,32+,33+,34+,35+,36-,37+,38-,40-,41-,42-,43-/m1/s1
• InChIKey: YPZMDIOCWCQQSM-CMAYOOJISA-N

Properties

• Density: 1.278g/cm³ (Cal.)
• Boiling point: 914.908°C at 760 mmHg (Cal.)
• Flash point: 507.118°C (Cal.)