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ONTOLOGY REPORT - ANNOTATIONS


Term:ergometrine maleate
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Accession:CHEBI:31554 term browser browse the term
Definition:A maleate salt resulting form the reaction of equimolar amounts of maleic acid and ergometrine. It is used in the active management of the third stage of labour, and to prevent or treat postpartum of postabortal haemorrhage caused by uterine atony: by maintaining uterine contraction and tone, blood vessels in the uterine wall are compressed and blood flow reduced.
Synonyms:exact_synonym: N-[(2S)-1-hydroxypropan-2-yl]-6-methyl-9,10-didehydroergoline-8beta-carboxamide (2Z)-but-2-enedioate
 related_synonym: 9,10-didehydro-N-((S)-2-hydroxy-1-methylethyl)-6-methylergoline-8beta-carboxamide maleate (1:1);   Formula=C23H27N3O6;   InChI=1S/C19H23N3O2.C4H4O4/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13;5-3(6)1-2-4(7)8/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24);1-2H,(H,5,6)(H,7,8)/b;2-1-/t11-,13+,17+;/m0./s1;   InChIKey=YREISLCRUMOYAY-IIPCNOPRSA-N;   SMILES=OC(=O)\\C=C/C(O)=O.[H][C@@]12Cc3c[nH]c4cccc(C1=C[C@H](CN2C)C(=O)N[C@@H](C)CO)c34;   ergometrin acid maleate;   ergometrine hydrogen maleate;   ergometrine maleate (1:1);   ergonovine hydrogen maleate;   ergonovine maleate;   ergonovine, maleate (1:1)
 xref: Beilstein:3855736;   CAS:129-51-1;   DrugBank:DB01253;   HMDB:HMDB0015383;   KEGG:D01163;   Reaxys:3855736


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  CHEBI ontology 19758
    role 19705
      application 19359
        pharmaceutical 19228
          diagnostic agent 654
            ergometrine maleate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 19758
    subatomic particle 19756
      composite particle 19756
        hadron 19756
          baryon 19756
            nucleon 19756
              atomic nucleus 19756
                atom 19756
                  main group element atom 19641
                    p-block element atom 19641
                      carbon group element atom 19532
                        carbon atom 19521
                          organic molecular entity 19521
                            organic group 18428
                              organic divalent group 18419
                                organodiyl group 18419
                                  carbonyl group 18309
                                    carbonyl compound 18309
                                      carboxylic acid 17978
                                        carboacyl group 17095
                                          univalent carboacyl group 17095
                                            carbamoyl group 16818
                                              carboxamide 16818
                                                monocarboxylic acid amide 14185
                                                  ergometrine 0
                                                    ergometrine maleate 0
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