Tiamulin

[(2R,3S,4S,6R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetate

Also Known As: Tiamulin|Thiamutilin|Denagard|tiamutin|Dynamutilin|Tiamulinum|Tiamulina|Tiamuline|Tiavet P|Tiamulina [Italian]|Tiamuline [INN-French]|Tiamulinum [INN-Latin]|Tiamulina [INN-Spanish]|Tiamulin [USAN:BAN:INN]|Tiamulin [USAN:INN:BAN]|HSDB 7026|EINECS 259-580-0|Tiamulin [USAN:USP:INN:BAN]|AC1L2334|BRN 2229396|81723 HFU|SQ 14055|2-(diethylaminoethyl)thioacetoxymutilin|14-Deoxy-14-((2-diethylaminoethyl-thio)-acetoxy)mutiline|14-Desoxy-14-[(2-diethylaminoethyl)mercaptoacetoxy]mutilin|((2-(Diethylamino)ethyl)thio)acetic acid 8-ester with (3aS,4R,5S,6S,8R,9R,9aR,10R)-octahydro-5,8-dihydroxy-4,6,9,10)-tetramethyl-6-vinyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one|((2-(Diethylamino)ethyl)thio)acetic acid 8-ester with (3aS,4R,5S,6S,8R,9R,9aR,10R)-octahydro-5,8-dihydroxy-4,6,9,10-tetramethyl-6-vinyl-3a,9-propano-3aH-cyclopentacycloocten-1(4H)-one|((2-(Diethylamino)ethyl)thio)-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester (3aS-(3aalpha,4beta,5alpha,6alpha,8beta,9alpha,9abeta,10S*))-|Acetic acid, ((2-(diethylamino)ethyl)thio)-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester (3aS-(3aalpha,4beta,5alpha,6alpha,8beta,9alpha,9abeta,10S*))-|Acetic acid, ((2-(diethylamino)ethyl)thio)-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3ah-cyclopentacycloocten-8-yl ester, (3aS-(3a-alpha,4-beta,5-alpha,6-alpha,8-beta,9-beta,10S*))-|Acetic acid, [[2-(diethylamino)ethyl]thio]-, (3aS,4R,5S,6S,8R,9R,9aR,10R) -6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl -1-oxo-3a,9-propano-3aH-cyclopentacycloocten- 8-yl ester|Acetic acid, [[2-(diethylamino)ethyl]thio]-, (3aS,4R,5S,6S,8R,9R,9aR,10R)-6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester|Acetic acid, [[2-(diethylamino)ethyl]thio]-, 6-ethenyldecahydro-5-hydroxy-4,6,9,10-tetramethyl-1-oxo-3a,9-propano-3aH-cyclopentacycloocten-8-yl ester, [3aS-(3a.alpha.,4.beta.,5.alpha.,6.alpha.,8.beta.,9.alpha.,9a.beta.,10S*)]-

Molecular Formula	C28H47NO4S
Molecular Weight	493.32257 g/mol
LogP	4.97
Topological Polar Surface Area	66.84 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	9
Exact Mass	493.32257
Heavy Atoms	34
Complexity	769.5

Chemical Identifiers

CAS Number	55297-95-5
SMILES	CCN(CC)CCSCC(=O)O[C@@H]1C[C@@]([C@H]([C@@H](C23CC[C@H](C1([C@@H]2C(=O)CC3)C)C)C)O)(C)C=C