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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:N-allyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol
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Accession:CHEBI:64004 term browser browse the term
Definition:A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a 3-methylphenyl substituent at position 1, an allyl substituent at position 3, a chloro substituent at position 6 and two hydroxy substituents at positions 7 and 8. High affinity, selective dopamine D1-like receptor agonist. Ki values are 3.2, 3.1, 186, 66, 335, 1167, 1251 and 1385 nM at recombinant D1, D5, D2, D3, D4, 5-HT2A, alpha1A and alpha1B receptors respectively. Stimulates adenylyl cyclase (EC50 = 65 nM) but not phosphoinositide hydrolysis. Induces extreme arousal and hyperlocomotion following subcutaneous administration in monkeys.
Synonyms:exact_synonym: 6-chloro-1-(3-methylphenyl)-3-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
 related_synonym: 3-allyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;   Formula=C20H22ClNO2;   InChI=1S/C20H22ClNO2/c1-3-8-22-9-7-15-16(11-18(23)20(24)19(15)21)17(12-22)14-6-4-5-13(2)10-14/h3-6,10-11,17,23-24H,1,7-9,12H2,2H3;   InChIKey=HLNOXCRCYMOMLA-UHFFFAOYSA-N;   SK and F 83822;   SK&F 83822;   SKF 83822;   SMILES=Cc1cccc(c1)C1CN(CCc2c1cc(O)c(O)c2Cl)CC=C
 xref: LINCS:LSM-36847;   Patent:US4192872;   Reaxys:1551889
 cyclic_relationship: is_conjugate_acid_of CHEBI:64003


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  CHEBI ontology 19848
    role 19824
      application 19668
        NMR chemical shift reference compound 18008
          ammonia 17825
            organic amino compound 17825
              tertiary amino compound 10141
                N-allyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol 0
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  CHEBI ontology 19848
    subatomic particle 19846
      composite particle 19846
        hadron 19846
          baryon 19846
            nucleon 19846
              atomic nucleus 19846
                atom 19846
                  main group element atom 19796
                    main group molecular entity 19796
                      s-block molecular entity 19629
                        hydrogen molecular entity 19616
                          hydrides 19122
                            inorganic hydride 18123
                              pnictogen hydride 18112
                                nitrogen hydride 18019
                                  azane 17826
                                    ammonia 17825
                                      organic amino compound 17825
                                        tertiary amino compound 10141
                                          N-allyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol 0
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