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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 0
    role 0
      application 0
        pharmaceutical 0
          diagnostic agent 0
            ergometrine maleate 0
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  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      carbon group element atom 0
                        carbon atom 0
                          organic molecular entity 0
                            organic group 0
                              organic divalent group 0
                                organodiyl group 0
                                  carbonyl group 0
                                    carbonyl compound 0
                                      carboxylic acid 0
                                        carboacyl group 0
                                          univalent carboacyl group 0
                                            carbamoyl group 0
                                              carboxamide 0
                                                monocarboxylic acid amide 0
                                                  ergometrine 0
                                                    ergometrine maleate 0
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