(9S)-9-[[[4-(Acetylamino)Phenyl]Sulfonyl]Amino]-9-Deoxoerythromycin
[CAS# 57049-06-6]

Identification

• Name: (9S)-9-[[[4-(Acetylamino)Phenyl]Sulfonyl]Amino]-9-Deoxoerythromycin
• Synonyms: N-[4-[[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]Sulfamoyl]Phenyl]Acetamide; N-[4-[[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]Sulfamoyl]Phenyl]Acetamide; N-[4-[[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]Sulfamoyl]Phenyl]Acetamide
• Molecular Formula: C₄₅H₇₇N₃O₁₅S
• Molecular Weight: 932.17
• CAS Registry Number: 57049-06-6
• 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)NC(=O)C
• InChI: 1S/C45H77N3O15S/c1-15-33-45(11,55)38(51)25(4)35(47-64(56,57)31-18-16-30(17-19-31)46-29(8)49)23(2)21-43(9,54)40(63-42-36(50)32(48(12)13)20-24(3)59-42)26(5)37(27(6)41(53)61-33)62-34-22-44(10,58-14)39(52)28(7)60-34/h16-19,23-28,32-40,42,47,50-52,54-55H,15,20-22H2,1-14H3,(H,46,49)
• InChIKey: VFHRYYRWSKRFTO-UHFFFAOYSA-N

Properties

• Density: 1.277g/cm³ (Cal.)