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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 23841
    role 23728
      application 23139
        pharmaceutical 22676
          diagnostic agent 741
            ergometrine maleate 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 23841
    subatomic particle 23792
      composite particle 23792
        hadron 23792
          baryon 23792
            nucleon 23792
              atomic nucleus 23792
                atom 23792
                  main group element atom 23610
                    p-block element atom 23610
                      carbon group element atom 23328
                        carbon atom 23285
                          organic molecular entity 23285
                            organic group 21924
                              organic divalent group 21896
                                organodiyl group 21896
                                  carbonyl group 21869
                                    carbonyl compound 21869
                                      carboxylic acid 20925
                                        carboacyl group 19069
                                          univalent carboacyl group 19069
                                            carbamoyl group 18431
                                              carboxamide 18431
                                                monocarboxylic acid amide 15676
                                                  ergometrine 0
                                                    ergometrine maleate 0
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