Tipranavir disodiumProduct ingredient for Tipranavir
- Name
- Tipranavir disodium
- Drug Entry
- Tipranavir
Tipranavir is a sulfonamide-containing dyhydropyrone and a nonpeptidic protease inhibitor that targets the HIV protease. Tipranavir and ritonavir are coadministered to treat HIV.
- Accession Number
- DBSALT001882
- Structure
Structure for Tipranavir disodium (DBSALT001882)
- Synonyms
- Tipranavir sodium
- UNII
- 9BAN2XG1ZW
- CAS Number
- 191150-83-1
- Weight
- Average: 646.63
Monoisotopic: 646.17011633 - Chemical Formula
- C31H31F3N2Na2O5S
- InChI Key
- ZBWMQTUSVWBMQE-KPHXKKTMSA-M
- InChI
- InChI=1S/C31H32F3N2O5S.2Na/c1-3-16-30(17-15-21-9-6-5-7-10-21)19-26(37)28(29(38)41-30)25(4-2)22-11-8-12-24(18-22)36-42(39,40)27-14-13-23(20-35-27)31(32,33)34;;/h5-14,18,20,25H,3-4,15-17,19H2,1-2H3,(H,37,38);;/q-1;2*+1/p-1/t25-,30-;;/m1../s1
- IUPAC Name
- disodium (2R)-6-oxo-2-(2-phenylethyl)-2-propyl-5-[(1R)-1-[3-({[5-(trifluoromethyl)pyridin-2-yl]sulfonyl}azanidyl)phenyl]propyl]-3,6-dihydro-2H-pyran-4-olate
- SMILES
- [Na+].[Na+].CCC[C@@]1(CCC2=CC=CC=C2)CC([O-])=C([C@H](CC)C2=CC=CC([N-]S(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)=C2)C(=O)O1
- External Links
- ChemSpider
- 143307
- ChEMBL
- CHEMBL2103936
- Predicted Properties
Property Value Source Water Solubility 0.000407 mg/mL ALOGPS logP 6.49 ALOGPS logP 7.14 Chemaxon logS -6.2 ALOGPS pKa (Strongest Acidic) 4.43 Chemaxon pKa (Strongest Basic) -3.3 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 105.62 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 164.32 m3·mol-1 Chemaxon Polarizability 59.63 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon