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
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Formula C18H20ClNO2
Net Charge 0
Average Mass 317.81000
Monoisotopic Mass 317.118
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.
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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