Tiamulin

Chemical Information
Tiamulin is a carbotricyclic compound that is pleuromutilin in which the hydroxyacetate group is replaced by a 2-{[2-(diethylamino)ethyl]sulfanyl}acetate group. An antibacterial drug, tiamulin is used in veterinary medicine (generally as its hydrogen fumarate salt) for the treatment of swine dysentery caused by Serpulina hyodysenteriae. It has a role as an antibacterial drug. It is an organic sulfide, a carboxylic ester, a secondary alcohol, a carbotricyclic compound, a cyclic ketone, a tertiary amino compound, a tetracyclic diterpenoid and a semisynthetic derivative. It is functionally related to a Pleuromutilin.
| CAS Number | 55297-95-5 |
| PubChem CID | 656958 |
| IUPAC Name | [(1S,2R,3S,4S,6R,7R,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 |
| Molecular Formula | C28H47NO4S |
| Molecular Weight | 493.7 |
| XLogP | 5.6 |
| Topological Polar Surface Area | 92.1 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 770 |
| Property | Value |
|---|---|
| Molecular Weight | 493.7 |
| XLogP3 | 5.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Exact Mass | 493.32258015 |
| Monoisotopic Mass | 493.32258015 |
| Topological Polar Surface Area | 92.1 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 770 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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