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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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Path 1
Term Annotations click to browse term
  CHEBI ontology 5052
    role 5044
      biological role 5016
        inhibitor 685
          nonnucleoside hepatitis C virus polymerase inhibitor 0
            dasabuvir sodium 0
              dasabuvir sodium hydrate + 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5052
    subatomic particle 5043
      composite particle 5043
        hadron 5071
          baryon 5043
            nucleon 5043
              atomic nucleus 5043
                atom 5043
                  main group element atom 5013
                    main group molecular entity 5012
                      s-block molecular entity 4970
                        alkali metal molecular entity 53
                          sodium molecular entity 53
                            elemental sodium 53
                              sodium(1+) 53
                                sodium salt 53
                                  organic sodium salt 11
                                    dasabuvir sodium 0
                                      dasabuvir sodium hydrate + 0
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