CHEBI:85178 - dasabuvir sodium hydrate

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ChEBI Name dasabuvir sodium hydrate ChEBI ID CHEBI:85178 Definition A hydrate that is the monohydrate form of dasabuvir sodium; used 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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C26H28N3NaO6S Net Charge 0 Average Mass 533.57200 Monoisotopic Mass 533.15965 InChI InChI=1S/C26H26N3O5S.Na.H2O/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);;1H2/q-1;+1; InChIKey OGXIDVVYYFRBGF-UHFFFAOYSA-N SMILES O.[Na+].COc1c(cc(cc1C(C)(C)C)-n1ccc(=O)[nH]c1=O)-c1ccc2cc([N-]S(C)(=O)=O)ccc2c1 Roles Classification Biological Role(s): antiviral drug A substance used in the prophylaxis or therapy of virus diseases. nonnucleoside hepatitis C virus polymerase inhibitor Any inhibitor of nonnucleoside hepatitis C virus polymerase. Application(s): antiviral drug A substance used in the prophylaxis or therapy of virus diseases. View more via ChEBI Ontology ChEBI Ontology Outgoing dasabuvir sodium hydrate (CHEBI:85178) has part dasabuvir sodium (CHEBI:85179) dasabuvir sodium hydrate (CHEBI:85178) has role antiviral drug (CHEBI:36044) dasabuvir sodium hydrate (CHEBI:85178) has role nonnucleoside hepatitis C virus polymerase inhibitor (CHEBI:85180) dasabuvir sodium hydrate (CHEBI:85178) is a hydrate (CHEBI:35505) Incoming Viekira Pak (CHEBI:85177) has part dasabuvir sodium hydrate (CHEBI:85178) IUPAC Name sodium {6-[3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl]naphthalen-2-yl}(methanesulfonyl)azanide—water (1/1/1) Synonyms Sources ABT-333 sodium monohydrate ChemIDplus Dasabuvir sodium monohydrate ChemIDplus Manual Xrefs Databases D10581 KEGG DRUG Dasabuvir Wikipedia View more database links Registry Number Type Source 1456607-55-8 CAS Registry Number ChemIDplus Citation Type Source 24882169 PubMed citation Europe PMC Last Modified 10 March 2015