Dalfopristin mesylateProduct ingredient for Dalfopristin

Name
Dalfopristin mesylate
Drug Entry
Dalfopristin

Dalfopristin is a combination of two antibiotics (Dalfopristin and quinupristin) used to treat infections by staphylococci and by vancomycin-resistant Enterococcus faecium. It is not effective against Enterococcus faecalis infections. Dalfopristin inhibits the early phase of protein synthesis in the bacterial ribosome and quinupristin inhibits the late phase of protein synthesis.

Accession Number
DBSALT002330
Structure
Synonyms
Not Available
UNII
R5U9EZY06G
CAS Number
Not Available
Weight
Average: 786.95
Monoisotopic: 786.317965543
Chemical Formula
C35H54N4O12S2
InChI Key
ZUBXFMSQBHKVNC-ODOOVVHSSA-N
InChI
InChI=1S/C34H50N4O9S.CH4O3S/c1-7-37(8-2)16-17-48(44,45)28-13-15-38-31(28)34(43)47-32(22(3)4)24(6)11-12-29(41)35-14-9-10-23(5)18-25(39)19-26(40)20-30-36-27(21-46-30)33(38)42;1-5(2,3)4/h9-12,18,21-22,24-25,28,31-32,39H,7-8,13-17,19-20H2,1-6H3,(H,35,41);1H3,(H,2,3,4)/b10-9+,12-11+,23-18+;/t24-,25-,28-,31-,32-;/m1./s1
IUPAC Name
(6R,7S,10R,11R,12E,17E,19E,21S)-6-[2-(diethylamino)ethanesulfonyl]-21-hydroxy-11,19-dimethyl-10-(propan-2-yl)-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.0^{3,7}]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetrone; methanesulfonic acid
SMILES
CS(O)(=O)=O.[H]N1C\C=C\C(\C)=C\[C@@H](O)CC(=O)CC2=NC(=CO2)C(=O)N2CC[C@H]([C@@H]2C(=O)O[C@H](C(C)C)[C@H](C)\C=C\C1=O)S(=O)(=O)CCN(CC)CC
ChemSpider
34993593
Predicted Properties
PropertyValueSource
Water Solubility0.0716 mg/mLALOGPS
logP2.57ALOGPS
logP1.58Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)13.17Chemaxon
pKa (Strongest Basic)7.09Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area176.42 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity182.84 m3·mol-1Chemaxon
Polarizability73.43 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon