Delavirdine mesylateProduct ingredient for Delavirdine
- Name
- Delavirdine mesylate
- Drug Entry
- Delavirdine
A potent, non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1.
- Accession Number
- DBSALT000038
- Structure
Structure for Delavirdine mesylate (DBSALT000038)
- Synonyms
- Not Available
- UNII
- 421105KRQE
- CAS Number
- 147221-93-0
- Weight
- Average: 552.667
Monoisotopic: 552.182474166 - Chemical Formula
- C23H32N6O6S2
- InChI Key
- MEPNHSOMXMALDZ-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H28N6O3S.CH4O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20;1-5(2,3)4/h4-8,13-15,24-26H,9-12H2,1-3H3;1H3,(H,2,3,4)
- IUPAC Name
- N-[2-(4-{3-[(propan-2-yl)amino]pyridin-2-yl}piperazine-1-carbonyl)-1H-indol-5-yl]methanesulfonamide; methanesulfonic acid
- SMILES
- CS(O)(=O)=O.CC(C)NC1=C(N=CC=C1)N1CCN(CC1)C(=O)C1=CC2=CC(NS(C)(=O)=O)=CC=C2N1
- External Links
- Predicted Properties
Property Value Source Water Solubility 0.086 mg/mL ALOGPS logP 2.77 ALOGPS logP 1.02 Chemaxon logS -3.7 ALOGPS pKa (Strongest Acidic) 9.39 Chemaxon pKa (Strongest Basic) 6.82 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 110.43 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 126.64 m3·mol-1 Chemaxon Polarizability 49.46 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon