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ONTOLOGY REPORT - ANNOTATIONS


Term:(1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride
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Accession:CHEBI:64078 term browser browse the term
Definition:A hydrochloride salt obtained by mixing equimolar amounts of (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol with hydrochloric acid. Potent and selective dopamine D1-like receptor agonist (pEC50 values are 8.97 and < 5 for D1-like and D2-like receptors respectively). Displays anti-Parkinsonian activity following oral administration in vivo.
Synonyms:exact_synonym: (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydro-1H-isochromene-5,6-diol hydrochloride
 related_synonym: 3-(1'-Adamantyl)-1-aminomethyl-3,4-dihydro-5,6-dihydroxy-1H-2-benzopyran hydrochloride;   A 77636 hydrochloride;   A-77636;   A77636;   A77636 hydrochloride;   Formula=C20H28ClNO3;   InChI=1S/C20H27NO3.ClH/c21-10-17-14-1-2-16(22)19(23)15(14)6-18(24-17)20-7-11-3-12(8-20)5-13(4-11)9-20;/h1-2,11-13,17-18,22-23H,3-10,21H2;1H/t11?,12?,13?,17-,18-,20?;/m0./s1;   InChIKey=BWHPNJVKFAPVOG-QYFJGNGUSA-N;   SMILES=Cl.NC[C@@H]1O[C@@H](Cc2c(O)c(O)ccc12)C12CC3CC(CC(C3)C1)C2;   [(1R,3S)-3-(adamantan-1-yl)-5,6-dihydroxy-3,4-dihydro-1H-isochromen-1-yl]methanaminium chloride
 xref: CAS:145307-34-2 "ChemIDplus"
 xref_mesh: MESH:C079415
 xref: Reaxys:5859104 "Reaxys"


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(1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride term browser
Symbol Object Name JBrowse Chr Start Stop Reference
G Drd1 dopamine receptor D1 JBrowse link 17 11,099,736 11,104,352 RGD:6480464

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  CHEBI ontology 19754
    role 19701
      application 19353
        pharmaceutical 19222
          drug 19222
            antidyskinesia agent 1133
              antiparkinson drug 850
                (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride 1
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Term Annotations click to browse term
  CHEBI ontology 19754
    subatomic particle 19752
      composite particle 19752
        hadron 19752
          baryon 19752
            nucleon 19752
              atomic nucleus 19752
                atom 19752
                  main group element atom 19637
                    p-block element atom 19637
                      halogen 17901
                        chlorine atom 17668
                          chlorine molecular entity 17668
                            elemental chlorine 8386
                              monoatomic chlorine 8367
                                chloride 8367
                                  chloride salt 8367
                                    organic chloride salt 655
                                      hydrochloride 427
                                        (1R,3S)-3-(adamantan-1-yl)-1-(aminomethyl)-3,4-dihydroisochromene-5,6-diol hydrochloride 1
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