Tiamulin fumerate

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For Research Use Only | Not For Clinical Use
CATAPS55297966B
CAS55297-96-6
Structure
SynonymsThiamutilin fumarate, Tiamulin fumarate, [[2-(Diethylamino)ethyl]thio]acetic acid [3aS-(3aalpha,4beta,5alpha,6alpha,8beta,9alpha,9abeta,10S*)]-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester (E)-2-butenedioate (1:1) (salt), 14-Deoxy-14-[(2-diethylaminoethyl)-mercaptoacetoxy]mutilin hydrogen fumarate, Tiamulin hydrogen fumarate, [[2-(Diethylamino)ethyl]thio]acetic acid (3aS,4R,5S,6S,8R,9S,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester (2E)-2-butenedioate (1:1) (salt), Dynamutilin, SQ 22947, Sandoz 81723hfu, 81723hfu, Tiavet,Tiamulin Hydrogen Fumarate, Tiamutin, 3a,9-Propano-3aH-cyclopentacyclooctene, acetic acid deriv.
IUPAC Name(3aS,4R,5S,6S,8R,9R,9aR,10R)-6-Ethenyl-5-hydroxy- 4,6,9,10-tetramethyl-1-oxodecahydro-3a,9-propano-3aH-cyclopentacycloocten-8-yl [[2-(diethylamino)ethyl]sulfanyl]acetate monofumarate
Molecular Weight609.81
Molecular FormulaC28H47NO4S.C4H4O4
Canonical SMILESCCN(CC)CCSCC(=O)O[C@@H]1C[C@@](C)(C=C)[C@@H](O)[C@H](C)[C@@]23CC[C@@H](C)[C@]1(C)[C@@H]2C(=O)CC3.OC(=O)\C=C\C(=O)O
InChIInChI=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+;/m1./s1
Accurate Mass609.3335
FormatNeat
ShippingRoom Temperature
Storage Conditions+4°C
SubcategoryPharmaceutical and veterinary compounds and metabolites
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