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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:dasabuvir sodium
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Accession:CHEBI:85179 term browser browse the term
Definition:An 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.
Synonyms:exact_synonym: sodium {6-[3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl]naphthalen-2-yl}(methanesulfonyl)azanide
 related_synonym: ABT-333 sodium;   Dasabuvir sodium anhydrous;   Formula=C26H26N3NaO5S;   InChI=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;   InChIKey=VZCGKKLFRJCTFM-UHFFFAOYSA-N;   SMILES=[Na+].COc1c(cc(cc1C(C)(C)C)-n1ccc(=O)[nH]c1=O)-c1ccc2cc([N-]S(C)(=O)=O)ccc2c1
 xref: CAS:1132940-11-4;   PMID:25534735;   Reaxys:19076517;   Wikipedia:Dasabuvir

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Term Annotations click to browse term
  CHEBI ontology 0
    role 0
      biological role 0
        inhibitor 0
          nonnucleoside hepatitis C virus polymerase inhibitor 0
            dasabuvir sodium 0
              dasabuvir sodium hydrate + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    main group molecular entity 0
                      s-block molecular entity 0
                        alkali metal molecular entity 0
                          sodium molecular entity 0
                            elemental sodium 0
                              sodium(1+) 0
                                sodium salt 0
                                  organic sodium salt 0
                                    dasabuvir sodium 0
                                      dasabuvir sodium hydrate + 0
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