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Tiamulin

CAS: 55297-95-5
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55297-95-5

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1 Tiamulin
2 Denagard
3 Tiamulina
4 Tiamuline
5 Thiamutilin

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.

Molecular Formula C28H47NO4S
Canonical SMILES
Isomeric SMILES
Molecular Weight 493.7000
InChIKey UURAUHCOJAIIRQ-QGLSALSOSA-N
InChI InChI=1S/C28H47NO4S/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/h8,19-20,22,24-25,32H,1,9-18H2,2-7H3/t19-,20+,22-,24+,25+,26-,27+,28+/m1/s1
XLogP 5.6000
ExactMass 493.3226
MonoisotopicMass 493.3226
TPSA 92.1000
Complexity 770.0000
Charge 0.0000
HBondDonorCount 1
HBondAcceptorCount 6
RotatableBondCount 10
HeavyAtomCount 34
IsotopeAtomCount 0
AtomStereoCount 8
DefinedAtomStereoCount 8
UndefinedAtomStereoCount 0
BondStereoCount 0
DefinedBondStereoCount 0
UndefinedBondStereoCount 0
CovalentUnitCount 1
PatentCount 3398
PatentFamilyCount 1089
LiteratureCount 372