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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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Term Annotations click to browse term
  CHEBI ontology 21267
    role 21250
      application 20683
        pharmaceutical 20064
          diagnostic agent 658
            ergometrine maleate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 21267
    subatomic particle 21263
      composite particle 21263
        hadron 21263
          baryon 21263
            nucleon 21263
              atomic nucleus 21263
                atom 21263
                  main group element atom 21129
                    p-block element atom 21129
                      carbon group element atom 20902
                        carbon atom 20792
                          organic molecular entity 20792
                            organic group 19185
                              organic divalent group 19175
                                organodiyl group 19175
                                  carbonyl group 19148
                                    carbonyl compound 19148
                                      carboxylic acid 18826
                                        carboacyl group 17473
                                          univalent carboacyl group 17473
                                            carbamoyl group 17163
                                              carboxamide 17163
                                                monocarboxylic acid amide 14463
                                                  ergometrine 0
                                                    ergometrine maleate 0
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