Tiamulin hydrogen fumarateProduct ingredient for Tiamulin
- Name
- Tiamulin hydrogen fumarate
- Drug Entry
- Tiamulin
Tiamulin is a pleuromutilin antibiotic drug that is used in veterinary medicine particularly for pigs and poultry.
- Accession Number
- DBSALT001660
- Structure
Structure for Tiamulin hydrogen fumarate (DBSALT001660)
- Synonyms
- Not Available
- UNII
- ION1Q02ZCX
- CAS Number
- 55297-96-6
- Weight
- Average: 609.82
Monoisotopic: 609.33353878 - Chemical Formula
- C32H51NO8S
- InChI Key
- YXQXDXAHCSEVSD-GCYNEOGWSA-N
- InChI
- InChI=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
- IUPAC Name
- (1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.0^{1,8}]tetradecan-6-yl 2-{[2-(diethylamino)ethyl]sulfanyl}acetate; (2E)-but-2-enedioic acid
- SMILES
- OC(=O)\C=C\C(O)=O.CCN(CC)CCSCC(=O)O[C@@H]1C[C@@](C)(C=C)[C@@H](O)[C@H](C)[C@]23CCC(=O)[C@H]2[C@@]1(C)[C@H](C)CC3
- External Links
- ChemSpider
- 27524460
- ChEMBL
- CHEMBL2146129
- Predicted Properties
Property Value Source Water Solubility 0.000524 mg/mL ALOGPS logP 4.47 ALOGPS logP 4.5 Chemaxon logS -6 ALOGPS pKa (Strongest Acidic) 14.43 Chemaxon pKa (Strongest Basic) 9.51 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 66.84 Å2 Chemaxon Rotatable Bond Count 12 Chemaxon Refractivity 140.74 m3·mol-1 Chemaxon Polarizability 57.8 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon