Compound: 104422-04-0
SMILES: Oc1c(O)cc2CCN(CC(c2c1)c3ccccc3)CC=C
InChIKey: QBUVZVXIRYFENV-UHFFFAOYSA-N
Synonyms: 104422-04-0, Skf-77434, SKF 77434, SK&F 77434, XA99M7XZR5, J247.964H, DTXSID3043817, 1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl-3-(2-propenyl)-, 1H-3-Benzazepine-7,8-diol, 2,3,4,5-tetrahydro-1-phenyl-3-(2-propen-1-yl)-, SKF-77,434, RefChem:183297, DTXCID1023817, (A+-)-SKF-77434, 3-Allyl-2,3,4,5-tetrahydro-7,8-dihydroxy-1-phenyl-1H-3-benzazepine, 5-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol, 1H-3-Benzazepine-7,8-diol,2,3,4,5-tetrahydro-1-phenyl-3-(2-propen-1-yl)-, CHEMBL288090, 3-allyl-1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine-7,8-diol, (+/-)-7,8-Dihydroxy-3-allyl-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrobromide, N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol, (+/-)-SKF 38393, N-allyl-, hydrobromide, 3-Allyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol, N-allyl-7,8-dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine, 1-phenyl-3-prop-2-en-1-yl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, UNII-XA99M7XZR5, Lopac0_001143, SCHEMBL7390591, CHEBI:63988, BDBM50004918, PDSP1_001525, PDSP2_001509, 1-phenyl-3-(prop-2-en-1-yl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol, CCG-205217, SDCCGSBI-0051110.P002, SKF 38393, N-allyl-, hydrobromide, NCGC00015915-03, NCGC00015915-04, NCGC00015915-08, NCGC00025249-02, (+/-)-SKF-77434, L001232, Q7390600, BRD-A64227845-004-02-8, BRD-A64227845-004-09-3, (+)-7,8-di-hydroxy-3-allyl-1-phenyl-2,3,4,5-tetrahydro-1h-3-benzazepine, (+/-)-APD3-Allyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol, 3-Allyl-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol; hydrochloride
Theoretical properties:
molecular_formula: C19H21NO2
molecular_weight: 295.4 g/mol
exact_mass: 295.157228913 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 3
heavy_atom_count: 22
topological_polar_surface_area: 43.7 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepine-7,8-diol is a benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1, an allyl substituent at position 3 and two hydroxy substituents at positions 7 and 8. Selective dopamine D1-like receptor partial agonist (IC50 values are 19.7 and 2425 nM for binding to D1-like and D2-like receptors respectively). Centrally active following systemic administration in vivo. It has a role as a dopamine agonist. It is a member of catechols, a benzazepine and a tertiary amino compound. It is a conjugate base of a N-allyl-1-phenyl-2,3,4,5-tetrahydro-3-benzazepinium-7,8-diol(1+).
chebi: A benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1, an allyl substituent at position 3 and two hydroxy substituents at positions 7 and 8. Selective dopamine D1-like receptor partial agonist (IC50 values are 19.7 and 2425 nM for binding to D1-like and D2-like receptors respectively). Centrally active following systemic administration in vivo.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: SKF-77,434 is a drug which acts as a selective dopamine D1 receptor partial agonist, and has stimulant and anorectic effects. Unlike other D1 agonists with higher efficacy such as SKF-81,297 and 6-Br-APB, SKF-77,434 does not maintain self-administration in animal studies, and so has been researched as a potential treatment for cocaine addiction.