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Tipranavir-[d4]

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Category HIV Protease
CAS 1217819-15-2
Description Tipranavir-[d4] is the labelled analogue of Tipranavir, which is a nonpeptidic HIV protease inhibitor and has been found to be effective as an antiviral.
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Product Information

Synonyms Tipranavir D4; N-[3-[(1R)-1-[(6R)-5,6-Dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl]propyl]phenyl]-5-(trifluoromethyl)-2-pyridinesulfonamide-d4
IUPAC Name N-[3-[(1R)-1-[(2R)-4-hydroxy-6-oxo-2-(2-phenylethyl)-2-(1,1,2,2-tetradeuteriopropyl)-3H-pyran-5-yl]propyl]phenyl]-5-(trifluoromethyl)pyridine-2-sulfonamide
Molecular Weight 606.69
Molecular Formula C31H29D4F3N2O5S
Canonical SMILES CCCC1(CC(=C(C(=O)O1)C(CC)C2=CC(=CC=C2)NS(=O)(=O)C3=NC=C(C=C3)C(F)(F)F)O)CCC4=CC=CC=C4
InChI InChI=1S/C31H33F3N2O5S/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/h5-14,18,20,25,36-37H,3-4,15-17,19H2,1-2H3/t25-,30-/m1/s1/i3D2,16D2
InChIKey SUJUHGSWHZTSEU-YBLLDNOUSA-N
Boiling Point 712.3±70.0 °C at 760 mmHg
Melting Point 74-83°C
Flash Point 384.6±35.7 °C
Purity 95% by HPLC; 98% atom D
Density 1.3±0.1 g/cm3
Solubility Soluble in Ethyl Acetate, Methanol
Appearance Off-white to Pale Yellow Solid
Storage Store at -20°C
Complexity 1050
Exact Mass 606.23133480
Index Of Refraction 1.579
In Vitro Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and Metabolic profiles of drugs.
Target HIV Protease; HIV; SARS-CoV
Vapor Pressure 0.0±2.4 mmHg at 25°C
XLogP3-AA 7

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