Gepotidacin MesylateProduct ingredient for Gepotidacin
- Name
- Gepotidacin Mesylate
- Drug Entry
- Gepotidacin
Gepotidacin has been used in trials studying the treatment of Gonorrhea, Infections, Bacterial, and Infections, Respiratory Tract.
- Accession Number
- DBSALT002142
- Structure
Structure for Gepotidacin Mesylate (DBSALT002142)
- Synonyms
- Not Available
- UNII
- 5P7X0H2O6B
- CAS Number
- 1624306-20-2
- Weight
- Average: 580.66
Monoisotopic: 580.231533317 - Chemical Formula
- C25H36N6O8S
- InChI Key
- MTLHHQWYERWLIX-RGFWRHHQSA-N
- InChI
- InChI=1S/C24H28N6O3.CH4O3S.2H2O/c31-22-4-3-20-24-29(22)15-19(30(24)23(32)13-27-20)14-28-7-5-17(6-8-28)25-11-18-10-16-2-1-9-33-21(16)12-26-18;1-5(2,3)4;;/h3-4,10,12-13,17,19,25H,1-2,5-9,11,14-15H2;1H3,(H,2,3,4);2*1H2/t19-;;;/m1.../s1
- IUPAC Name
- (3R)-3-({4-[({2H,3H,4H-pyrano[2,3-c]pyridin-6-yl}methyl)amino]piperidin-1-yl}methyl)-1,4,7-triazatricyclo[6.3.1.0^{4,12}]dodeca-6,8(12),9-triene-5,11-dione methanesulfonic acid dihydrate
- SMILES
- O.O.CS(O)(=O)=O.O=C1C=CC2=C3N1C[C@@H](CN1CCC(CC1)NCC1=CC4=C(OCCC4)C=N1)N3C(=O)C=N2
- External Links
- ChemSpider
- 34982931
- ChEMBL
- CHEMBL3545364
- Predicted Properties
Property Value Source Water Solubility 0.311 mg/mL ALOGPS logP 0.97 ALOGPS logP 0.16 Chemaxon logS -3.2 ALOGPS pKa (Strongest Basic) 8.62 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 90.37 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 133.84 m3·mol-1 Chemaxon Polarizability 49.24 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon