Tipranavir

C₃₁H₃₃F₃N₂O₅SCAS 174484-41-4602.67 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ester Lactone Sulfonamide

Properties

Molecular formula: C₃₁H₃₃F₃N₂O₅S
Molar mass: 602.67 g/mol
Exact mass: 602.2062 Da
Melting point: 86–89 °C
logP: 7.33Crippen estimate
Polar surface area: 105.6 Å²
H-bond donors / acceptors: 2 / 6
Rotatable bonds: 11
Stereocentres: R, Rin SMILES atom order

Identifiers

CAS number

174484-41-4

SMILES

CCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1

InChIKey

SUJUHGSWHZTSEU-FYBSXPHGSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names

2-Pyridinesulfonamide, 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, N-[3-[1-[5,6-dihydro-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-2H-pyran-3-yl]propyl]phenyl]-5-(trifluoromethyl)-, [R-(R*,R*)]-
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
U 140690
PNU 140690
Aptivus
TPV

Work with Tipranavir

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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