Quinupristin mesylateProduct ingredient for Quinupristin
- Name
- Quinupristin mesylate
- Drug Entry
- Quinupristin
Quinupristin/dalfopristin is a combination of two antibiotics used to treat infections by staphylococci and by vancomycin-resistant Enterococcus faecium. Dalfopristin inhibits the early phase of protein synthesis in the bacterial ribosome and quinupristin inhibits the late phase of protein synthesis. The combination of the two components acts synergistically and is more effective in vitro than each component alone.
- Accession Number
- DBSALT002316
- Structure
- Synonyms
- Not Available
- UNII
- 91VAC8654E
- CAS Number
- Not Available
- Weight
- Average: 1118.33
Monoisotopic: 1117.46127573 - Chemical Formula
- C54H71N9O13S2
- InChI Key
- ZNQOUMVWYLNQRW-FDQSXSIVSA-N
- InChI
- InChI=1S/C53H67N9O10S.CH4O3S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46;1-5(2,3)4/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65);1H3,(H,2,3,4)/t31-,35+,37-,38+,39+,40+,43-,44+,45+;/m1./s1
- IUPAC Name
- N-[(3S,6S,12R,15S,16R,19S,22S,25R)-25-{[(3S)-1-azabicyclo[2.2.2]octan-3-ylsulfanyl]methyl}-3-{[4-(dimethylamino)phenyl]methyl}-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentaazatricyclo[20.4.0.0^{6,10}]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.CC[C@H]1NC(=O)[C@@H](NC(=O)C2=C(O)C=CC=N2)[C@@H](C)OC(=O)[C@@H](NC(=O)[C@@H]2CC(=O)[C@H](CS[C@@H]3CN4CCC3CC4)CN2C(=O)[C@H](CC2=CC=C(C=C2)N(C)C)N(C)C(=O)[C@@H]2CCCN2C1=O)C1=CC=CC=C1
- External Links
- ChemSpider
- 34988204
- Predicted Properties
Property Value Source Water Solubility 0.0445 mg/mL ALOGPS logP 2.99 ALOGPS logP 2.18 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 7.45 Chemaxon pKa (Strongest Basic) 8.28 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 12 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 231.2 Å2 Chemaxon Rotatable Bond Count 10 Chemaxon Refractivity 272.84 m3·mol-1 Chemaxon Polarizability 106.89 Å3 Chemaxon Number of Rings 8 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon