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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 19831
    role 19807
      biological role 19805
        inhibitor 18895
          nonnucleoside hepatitis C virus polymerase inhibitor 0
            dasabuvir sodium 0
              dasabuvir sodium hydrate + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19831
    subatomic particle 19829
      composite particle 19829
        hadron 19829
          baryon 19829
            nucleon 19829
              atomic nucleus 19829
                atom 19829
                  main group element atom 19779
                    main group molecular entity 19779
                      s-block molecular entity 19617
                        alkali metal molecular entity 12806
                          sodium molecular entity 11300
                            elemental sodium 11300
                              sodium(1+) 11300
                                sodium salt 11300
                                  organic sodium salt 1377
                                    dasabuvir sodium 0
                                      dasabuvir sodium hydrate + 0
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