55297-95-5
Product Name:
Tiamulin
Formula:
C28H47NO4S
Synonyms:
(1S,2R,3S,4S,6R,7S,14R)-6-[(2-Diethylaminoethylthio)acetoxy]-3-hydroxy-2,4,7,14-tetramethyl-4-vinyltricyclo[5,4,3,01.8]tetradecan-9-one
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CHEMICAL AND PHYSICAL PROPERTIES
| Color/Form | Sticky, translucent yellowish mass |
|---|---|
| Melting Point | Crystals from acetone. MP: 147-148 °C (after stirring in ethyl acetate and drying at 60 °C and 80 °C overnight) /Tiamulin fumarate/ |
| Solubility | Practically insoluble in water |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Decomposition | When heated to decomposition it emits toxic fumes of /sulfur oxides & nitrogen oxides/. |
| Collision Cross Section | 217.61 Ų [M+H]+ |
| Other Experimental Properties | Slightly hygroscopic |
SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H413:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 493.7 g/mol |
|---|---|
| XLogP3 | 5.6 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 10 |
| Exact Mass | 493.32258015 g/mol |
| Monoisotopic Mass | 493.32258015 g/mol |
| 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 |
PRODUCT INTRODUCTION
description
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 a carbotricyclic compound, a carboxylic ester, a cyclic ketone, a tertiary amino compound, a secondary alcohol, an organic sulfide, a tetracyclic diterpenoid and a semisynthetic derivative. It is functionally related to a Pleuromutilin.