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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:dipivefrin
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Accession:CHEBI:4646 term browser browse the term
Definition:The dipivalate ester of (+-)-epinephrine (racepinephrine). A pro-drug of epinephrine, the hydrochloride is used topically as eye drops to reduce intra-ocular pressure in the treatment of open-angle glaucoma or ocular hypertension.
Synonyms:exact_synonym: 4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diyl bis(2,2-dimethylpropanoate)
 related_synonym: 1-(3',4'-dipivaloyloxyphenyl)-2-methylamino-1-ethanol;   4-[1-hydroxy-2-(methylamino)ethyl]-o-phenylene divavalate;   Formula=C19H29NO5;   InChI=1S/C19H29NO5/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3;   InChIKey=OCUJLLGVOUDECM-UHFFFAOYSA-N;   SMILES=CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1;   dipivalyl epinephrine;   dipivefrina;   dipivefrine;   dipivefrinum
 xref: Beilstein:2165183;   CAS:52365-63-6;   DrugBank:DB00449;   Drug_Central:922;   KEGG:C06963;   KEGG:D02349;   LINCS:LSM-1583;   Patent:DE2152058;   Patent:DE2343657;   Patent:US3809714;   Patent:US4085270;   Wikipedia:Dipivefrin
 cyclic_relationship: is_conjugate_base_of CHEBI:73714



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Path 1
Term Annotations click to browse term
  CHEBI ontology 19860
    role 19832
      application 19675
        pro-agent 11550
          prodrug 11310
            dipivefrin 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19860
    subatomic particle 19858
      composite particle 19858
        hadron 19858
          baryon 19858
            nucleon 19858
              atomic nucleus 19858
                atom 19858
                  main group element atom 19804
                    main group molecular entity 19804
                      s-block molecular entity 19637
                        hydrogen molecular entity 19618
                          hydrides 19124
                            inorganic hydride 18133
                              pnictogen hydride 18122
                                nitrogen hydride 18030
                                  azane 17837
                                    ammonia 17836
                                      organic amino compound 17836
                                        aralkylamino compound 1019
                                          monoamine 611
                                            monoamine molecular messenger 611
                                              catecholamine 557
                                                4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol 112
                                                  (S)-adrenaline 1
                                                    adrenaline 1
                                                      dipivefrin 0
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