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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 19761
    role 19711
      biological role 19711
        biochemical role 19301
          apoptosis inducer 11019
            rigosertib sodium 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19761
    subatomic particle 19759
      composite particle 19759
        hadron 19759
          baryon 19759
            nucleon 19759
              atomic nucleus 19759
                atom 19759
                  main group element atom 19653
                    p-block element atom 19653
                      carbon group element atom 19569
                        carbon atom 19559
                          organic molecular entity 19559
                            organic ion 8453
                              organic anion 3034
                                carboxylic acid anion 2395
                                  monocarboxylic acid anion 1497
                                    rigosertib(1-) 0
                                      rigosertib sodium 0
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