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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:nalbuphine hydrochloride
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Accession:CHEBI:7455 term browser browse the term
Definition:A hydrochloride that has formula C21H28ClNO4.
Synonyms:exact_synonym: 17-cyclobutylmethyl-4,5alpha-epoxymorphinan-3,6alpha,14-triol hydrochloride
 related_synonym: Formula=C21H27NO4.HCl;   Formula=C21H28ClNO4;   InChI=1S/C21H27NO4.ClH/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12;/h4-5,12,15-16,19,23-25H,1-3,6-11H2;1H/t15-,16+,19-,20-,21+;/m0./s1;   InChIKey=YZLZPSJXMWGIFH-BCXQGASESA-N;   N-Cyclobutylmethyl-14-hydroxydihydronormorphine hydrochloride;   Nalbufina clorhidrato;   Nalbuphine HCl;   SMILES=[H+].[Cl-].O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45
 xref: Beilstein:6761124;   CAS:23277-43-2;   DrugBank:DB00844;   KEGG:D00843



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Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Prl prolactin affects expression ISO nalbuphine hydrochloride affects expression of PRL in blood serum RGD PMID:17391744 RGD:401960113 NCBI chr17:37,859,999...37,870,062
Ensembl chr17:37,860,007...37,870,062
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  CHEBI ontology 19899
    role 19870
      biological role 19868
        pharmacological role 19105
          analgesic 14793
            opioid analgesic 743
              nalbuphine 2
                nalbuphine hydrochloride 1
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  CHEBI ontology 19899
    subatomic particle 19897
      composite particle 19897
        hadron 19897
          baryon 19897
            nucleon 19897
              atomic nucleus 19897
                atom 19897
                  main group element atom 19836
                    p-block element atom 19836
                      carbon group element atom 19776
                        carbon atom 19772
                          organic molecular entity 19772
                            heteroorganic entity 19537
                              organonitrogen compound 18854
                                alkaloid 8035
                                  isoquinoline alkaloid 1204
                                    morphinane alkaloid 700
                                      morphinan 668
                                        nalbuphine 2
                                          nalbuphine hydrochloride 1
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