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CHEBI:85179 - dasabuvir sodium

ChEBI IDCHEBI:85179
ChEBI Namedasabuvir sodium
Stars
DefinitionAn organic sodium salt having dasabuvir(1−) as the counterion; used (in the form of the hydrate) in combination with ombitasvir, paritaprevir and ritonavir (under the trade name Viekira Pak) for treatment of chronic hepatitis C virus genotype 1 infection as well as cirrhosis of the liver.
Last Modified10 March 2015
SubmitterSteve
DownloadsMolfile
FormulaC26H26N3O5S.Na
Net Charge0
Average Mass515.567
Monoisotopic Mass515.14909
SMILESCOc1c(-c2ccc3cc([N-]S(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)nc2=O)cc1C(C)(C)C.[Na+]
InChIInChI=1S/C26H26N3O5S.Na/c1-26(2,3)22-15-20(29-11-10-23(30)27-25(29)31)14-21(24(22)34-4)18-7-6-17-13-19(28-35(5,32)33)9-8-16(17)12-18;/h6-15H,1-5H3,(H,27,30,31);/q-1;+1
InChIKeyVZCGKKLFRJCTFM-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
nonnucleoside hepatitis C virus polymerase inhibitor  Any inhibitor of nonnucleoside hepatitis C virus polymerase.
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)
dasabuvir sodium (CHEBI:85179) has part dasabuvir(1−) (CHEBI:85181)
dasabuvir sodium (CHEBI:85179) has role antiviral drug (CHEBI:36044)
dasabuvir sodium (CHEBI:85179) has role nonnucleoside hepatitis C virus polymerase inhibitor (CHEBI:85180)
dasabuvir sodium (CHEBI:85179) is a organic sodium salt (CHEBI:38700)
Incoming Relation(s)
dasabuvir sodium hydrate (CHEBI:85178) has part dasabuvir sodium (CHEBI:85179)
IUPAC Name 
sodium {6-[3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl]naphthalen-2-yl}(methanesulfonyl)azanide
Synonyms  Source
Dasabuvir sodium anhydrousChemIDplus
ABT-333 sodiumChemIDplus
Manual XrefsDatabases
DasabuvirWikipedia
Registry NumbersSources
Reaxys:19076517Reaxys
CAS:1132940-11-4ChemIDplus
Citations