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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:rigosertib sodium
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Accession:CHEBI:145421 term browser browse the term
Definition:The sodium salt of rigosertib. It is an anti-cancer agent which has been granted Orphan Drug Designation by the FDA for use in patients with myelodysplastic syndromes (MDS).
Synonyms:exact_synonym: sodium [2-methoxy-5-({[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonyl}methyl)anilino]acetate
 related_synonym: (E)-ON 01910.Na;   Estybon;   Formula=C21H24NO8S.Na;   InChI=1S/C21H25NO8S.Na/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24;/h5-11,22H,12-13H2,1-4H3,(H,23,24);/q;+1/p-1/b8-7+;;   InChIKey=VLQLUZFVFXYXQE-USRGLUTNSA-M;   ON 01910 sodium;   ON 01910 sodium salt;   ON-01910.Na;   SMILES=C1(=CC(=C(C(=C1)OC)/C=C/S(CC2=CC=C(C(=C2)NCC([O-])=O)OC)(=O)=O)OC)OC.[Na+];   novonex;   rigosertib sodium salt
 xref: CAS:592542-60-4;   DrugBank:DBSALT002144;   KEGG:D10155;   PMID:15766665;   PMID:17588831;   PMID:18955447;   PMID:19029951;   PMID:19466411;   PMID:21646468;   PMID:21812421;   PMID:21924492;   PMID:22351695;   PMID:22524974;   PMID:22678771;   PMID:23386308;   PMID:23486532;   PMID:23738723;   PMID:23841031;   PMID:24493827;   PMID:24748653;   PMID:25316768;   PMID:27150054;   PMID:27764820;   PMID:28985505;   PMID:29423069


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Path 1
Term Annotations click to browse term
  CHEBI ontology 19816
    role 19764
      biological role 19764
        biochemical role 19313
          apoptosis inducer 10979
            rigosertib sodium 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19816
    subatomic particle 19814
      composite particle 19814
        hadron 19814
          baryon 19814
            nucleon 19814
              atomic nucleus 19814
                atom 19814
                  main group element atom 19702
                    p-block element atom 19702
                      carbon group element atom 19608
                        carbon atom 19597
                          organic molecular entity 19597
                            organic ion 8327
                              organic anion 3018
                                carboxylic acid anion 2388
                                  monocarboxylic acid anion 1489
                                    rigosertib(1-) 0
                                      rigosertib sodium 0
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