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CHEBI:63628 - tipranavir

ChEBI IDCHEBI:63628
ChEBI Nametipranavir
Stars
DefinitionA pyridine-2-sulfonamide substituted at C-5 by a trifluoromethyl group and at the sulfonamide nitrogen by a dihydropyrone-containing m-tolyl substituent. It is an HIV-1 protease inhibitor.
Last Modified16 September 2014
DownloadsMolfile
FormulaC31H33F3N2O5S
Net Charge0
Average Mass602.675
Monoisotopic Mass602.20623
SMILESCCC[C@@]1(CCc2ccccc2)CC(O)=C([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1
InChIInChI=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
InChIKeySUJUHGSWHZTSEU-FYBSXPHGSA-N
Roles Classification
Biological Roles:
HIV protease inhibitor  An inhibitor of HIV protease, an enzyme required for production of proteins needed for viral assembly.
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
Application:
antiviral drug  A substance used in the prophylaxis or therapy of virus diseases.
ChEBI Ontology
Outgoing Relation(s)
tipranavir (CHEBI:63628) has role antiviral drug (CHEBI:36044)
tipranavir (CHEBI:63628) has role HIV protease inhibitor (CHEBI:35660)
tipranavir (CHEBI:63628) is a sulfonamide (CHEBI:35358)
IUPAC Name 
N-(3-{(1R)-1-[(6R)-4-hydroxy-2-oxo-6-(2-phenylethyl)-6-propyl-5,6-dihydro-2H-pyran-3-yl]propyl}phenyl)-5-(trifluoromethyl)pyridine-2-sulfonamide
INN  Source
tipranavirChemIDplus
Synonym  Source
3'-((1R)-1-((6R)-5,6-Dihydro-4-hydroxy-2-oxo-6-phenethyl-6-propyl-2H-pyran-3-yl)propyl)-5-(trifluoromethyl)-2-pyridinesulfonanilideChemIDplus
Manual XrefsDatabases
DB00932DrugBank
D08605KEGG DRUG
Registry NumbersSources
Reaxys:7698323Reaxys
CAS:174484-41-4ChemIDplus
Citations