o-Sulfobenzoylerythromycin

Molecular Formula: C44H71NO17S


InChI: InChI=1/C44H71NO17S/c1-14-31-44(10,52)36(48)24(4)33(46)22(2)20-42(8,51)37(62-41-34(47)29(45(11)12)19-23(3)57-41)25(5)35(26(6)39(49)59-31)60-32-21-43(9,56-13)38(27(7)58-32)61-40(50)28-17-15-16-18-30(28)63(53,54)55/h15-18,22-27,29,31-32,34-38,41,47-48,51-52H,14,19-21H2,1-13H3,(H,53,54,55)/f/h53H

InChIKey: InChIKey=CBRJLEVLKKUEJS-ALWMSJCMCK
SMILES: CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)OC(=O)C3=CC=CC=C3S(=O)(=O)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C)C)O)(C)O

Names:
    ERYTHROMYCIN, O-SULFOBENZOYL DERIV
    Erythromycin, o-sulfobenzoyl deriv.
    NSC9162
    o-Sulfobenzoylerythromycin
    2-[6-[[6-(4-dimethylamino-3-hydroxy-6-methyl-oxan-2-yl)oxy-14-ethyl-7,12,13-trihydroxy-3,5,7,9,11,13-hexamethyl-2,10-dioxo-1-oxacyclotetradec-4-yl]oxy]-4-methoxy-2,4-dimethyl-oxan-3-yl]oxycarbonylbenzenesulfonic acid
    6293-80-7

Registries:
    PubChem CID 222620
    PubChem ID 74689