CHEBI:64001 - N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol

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ChEBI Name N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol ChEBI ID CHEBI:64001 ChEBI ASCII Name N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol Definition A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a 3-methylphenyl substituent at position 1, a methyl substituent at position 3, a chloro substituent at position 6 and two hydroxy substituents at positions 7 and 8. Dopamine D1-like receptor partial agonist (Ki values are 1.18, 7.56, 920 and 399 nM for rat D1, D5, D2 and D3 receptors respectively). May act as an antagonist in vivo, producing anti-Parkinsonian effects and antagonising the behavioral effects of cocaine. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information ChemicalBook:CB7452084, eMolecules:532075, ZINC000000896722 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H20ClNO2 Net Charge 0 Average Mass 317.81000 Monoisotopic Mass 317.11826 InChI InChI=1S/C18H20ClNO2/c1-11-4-3-5-12(8-11)15-10-20(2)7-6-13-14(15)9-16(21)18(22)17(13)19/h3-5,8-9,15,21-22H,6-7,10H2,1-2H3 InChIKey JXMYTVOBSFOHAF-UHFFFAOYSA-N SMILES CN1CCc2c(cc(O)c(O)c2Cl)C(C1)c1cccc(C)c1 Roles Classification Chemical Role(s): Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound ) Biological Role(s): dopamine agonist A drug that binds to and activates dopamine receptors. Application(s): dopamine agonist A drug that binds to and activates dopamine receptors. View more via ChEBI Ontology ChEBI Ontology Outgoing N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol (CHEBI:64001) has role dopamine agonist (CHEBI:51065) N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol (CHEBI:64001) is a benzazepine (CHEBI:35676) N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol (CHEBI:64001) is a catechols (CHEBI:33566) N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol (CHEBI:64001) is a organochlorine compound (CHEBI:36683) N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol (CHEBI:64001) is a tertiary amino compound (CHEBI:50996) N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol (CHEBI:64001) is conjugate base of N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+) (CHEBI:64000) Incoming N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+) (CHEBI:64000) is conjugate acid of N-methyl-6-chloro-1-(3-methylphenyl)-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol (CHEBI:64001) IUPAC Name 6-chloro-3-methyl-1-(3-methylphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol Synonyms Sources 3-Methyl-6-chloro-2,3,4,5-tetrahydro-7,8-dihydroxy-1-(3-methylphenyl)-1H-3-benzazepine ChemIDplus SK&F 83959 ChemIDplus SKF 83959 ChEBI Manual Xref Database LSM-36831 LINCS View more database links Registry Numbers Types Sources 1549255 Reaxys Registry Number Reaxys 80751-85-5 CAS Registry Number ChemIDplus Last Modified 14 July 2016