(9S)-9-Deoxo-9-[[(4-Methylphenyl)Sulfonyl]Amino]Erythromycin
[CAS# 56998-46-0]

Identification

• Name: (9S)-9-Deoxo-9-[[(4-Methylphenyl)Sulfonyl]Amino]Erythromycin
• Synonyms: N-[10-(4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-2-Ethyl-3,4,9-Trihydroxy-12-(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-Methyl-Benzenesulfonamide; N-[10-[(4-Dimethylamino-3-Hydroxy-6-Methyl-2-Tetrahydropyranyl)Oxy]-2-Ethyl-3,4,9-Trihydroxy-12-[(5-Hydroxy-4-Methoxy-4,6-Dimethyl-2-Tetrahydropyranyl)Oxy]-3,5,7,9,11,13-Hexamethyl-14-Oxo-1-Oxacyclotetradec-6-Yl]-4-Methylbenzenesulfonamide; N-[10-(4-Dimethylamino-3-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl)Oxy-2-Ethyl-3,4,9-Trihydroxy-12-(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-Methyl-Benzenesulfonamide
• Molecular Formula: C₄₄H₇₆N₂O₁₄S
• Molecular Weight: 889.15
• CAS Registry Number: 56998-46-0
• SMILES: C4=C([S](=O)(=O)NC3C(C(O)C(O)(C(OC(=O)C(C(OC1OC(C(O)C(OC)(C1)C)C)C(C(OC2OC(CC(N(C)C)C2O)C)C(O)(CC3C)C)C)C)CC)C)C)C=CC(=C4)C
• InChI: 1S/C44H76N2O14S/c1-15-32-44(11,52)37(48)26(5)34(45-61(53,54)30-18-16-23(2)17-19-30)24(3)21-42(9,51)39(60-41-35(47)31(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/h16-19,24-29,31-39,41,45,47-49,51-52H,15,20-22H2,1-14H3
• InChIKey: PKZJCCQFQFWULK-UHFFFAOYSA-N

Properties

• Density: 1.252g/cm³ (Cal.)
• Boiling point: 922.991°C at 760 mmHg (Cal.)
• Flash point: 512.006°C (Cal.)