Erythromycin Acistrate
[CAS# 96128-89-1]

Identification

• Name: Erythromycin Acistrate
• Synonyms: [(2S,3R,4S,6R)-4-Dimethylamino-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-Ethyl-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-2,10-Dioxo-1-Oxacyclotetradec-6-Yl]Oxy]-6-Methyl-Tetrahydropyran-3-Yl] Acetate; Stearic Acid; Acetic Acid [(2S,3R,4S,6R)-4-Dimethylamino-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-Ethyl-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-2,10-Dioxo-1-Oxacyclotetradec-6-Yl]Oxy]-6-Methyl-3-Tetrahydropyranyl] Ester; Stearic Acid; Acetic Acid [(2S,3R,4S,6R)-4-Dimethylamino-2-[[(3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-Ethyl-7,12,13-Trihydroxy-4-[(2R,4R,5S,6S)-5-Hydroxy-4-Methoxy-4,6-Dimethyl-Tetrahydropyran-2-Yl]Oxy-2,10-Diketo-3,5,7,9,11,13-Hexamethyl-1-Oxacyclotetradec-6-Yl]Oxy]-6-Methyl-Tetrahydropyran-3-Yl] Ester; Stearic Acid
• Molecular Formula: C₅₇H₁₀₅NO₁₆
• Molecular Weight: 1060.45
• CAS Registry Number: 96128-89-1
• SMILES: [C@@H]1([C@@H]([C@H](C[C@H](O1)C)N(C)C)OC(C)=O)O[C@@H]3[C@H]([C@H](O[C@H]2C[C@]([C@@H](O)[C@@H](O2)C)(OC)C)[C@H](C(O[C@@H]([C@@](C)(O)[C@@H]([C@H](C([C@@H](C[C@@]3(C)O)C)=O)C)O)CC)=O)C)C.C(CCCCCCCCCCC)CCCCCC(O)=O
• InChI: 1S/C39H69NO14.C18H36O2/c1-15-27-39(11,47)32(43)21(4)29(42)19(2)17-37(9,46)34(54-36-31(51-25(8)41)26(40(12)13)16-20(3)49-36)22(5)30(23(6)35(45)52-27)53-28-18-38(10,48-14)33(44)24(7)50-28;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h19-24,26-28,30-34,36,43-44,46-47H,15-18H2,1-14H3;2-17H2,1H3,(H,19,20)/t19-,20-,21+,22+,23-,24+,26+,27-,28+,30+,31-,32-,33+,34-,36+,37-,38-,39-;/m1./s1
• InChIKey: FPEVNWDVXZGKCD-SAVXWCSHSA-N

Properties

• Boiling point: 819.9°C at 760 mmHg (Cal.)
• Flash point: 449.7°C (Cal.)