Substance
  • Substance Name: tiamulin fumarate
  • Formula: C32H51NO8S
  • Molecular Weight: 609.8 g/mol
  • Identifiers:
    • casrn: 55297-96-6
    • inchikey: YXQXDXAHCSEVSD-QSRIOGSGSA-N
    • inchi: InChI=1S/C28H47NO4S.C4H4O4/c1-8-26(6)17-22(33-23(31)18-34-16-15-29(9-2)10-3)27(7)19(4)11-13-28(20(5)25(26)32)14-12-21(30)24(27)28;5-3(6)1-2-4(7)8/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t19?,20-,22+,24-,25-,26+,27?,28-;/m0./s1
    • csmiles: CCN(CC)CCSCC(=O)OC1CC(C(C(C23CCC(C1(C2C(=O)CC3)C)C)C)O)(C)C=C.C(=CC(=O)O)C(=O)O
    • ismiles: CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H]([C@@]23CCC(C1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C.C(=C/C(=O)O)\C(=O)O
    • pubchemId: 20055564
    • iupacname: (E)-but-2-enedioic acid;[(1S,2R,3S,4S,6R,8R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetate
tiamulin fumarate
Systems and Datasets