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
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
ChemSpider
143307
ChEMBL
CHEMBL2103936
Predicted Properties
PropertyValueSource
Water Solubility0.000407 mg/mLALOGPS
logP6.49ALOGPS
logP7.14ChemAxon
logS-6.2ALOGPS
pKa (Strongest Acidic)4.43ChemAxon
pKa (Strongest Basic)-3.3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area105.62 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity164.32 m3·mol-1ChemAxon
Polarizability59.63 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon