(9S)-9-Deoxo-9-[[(2-Methylphenyl)Sulfonyl]Amino]Erythromycin
[CAS# 61066-22-6]

Identification

• Name: (9S)-9-Deoxo-9-[[(2-Methylphenyl)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]-2-Methyl-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]-2-Methylbenzenesulfonamide; 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]-2-Methyl-Benzenesulfonamide
• Molecular Formula: C₄₄H₇₆N₂O₁₄S
• Molecular Weight: 889.15
• CAS Registry Number: 61066-22-6
• 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=C(C=CC=C2)C)[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/C44H76N2O14S/c1-15-32-44(11,52)37(48)26(5)34(45-61(53,54)31-19-17-16-18-23(31)2)24(3)21-42(9,51)39(60-41-35(47)30(46(12)13)20-25(4)56-41)27(6)36(28(7)40(50)58-32)59-33-22-43(10,55-14)38(49)29(8)57-33/h16-19,24-30,32-39,41,45,47-49,51-52H,15,20-22H2,1-14H3/t24-,25+,26+,27+,28-,29+,30-,32-,33+,34+,35+,36+,37-,38+,39-,41-,42-,43-,44-/m1/s1
• InChIKey: CONDRHUKXSYFDV-IFNNNTLBSA-N

Properties

• Density: 1.252g/cm³ (Cal.)
• Boiling point: 925.798°C at 760 mmHg (Cal.)
• Flash point: 513.704°C (Cal.)