SKF-82958   Click here for help

GtoPdb Ligand ID: 10742

Synonyms: SKF 82958 | SKF82958
Compound class: Synthetic organic
Comment: Dopamine D1 receptor agonist. SKF-82958 hydrobromide is a D1/D5 receptor full agonist.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 43.7
Molecular weight 329.12
XLogP 3.85
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES C=CCN1CCc2c(C(C1)c1ccccc1)cc(c(c2Cl)O)O
Isomeric SMILES C=CCN1CCc2c(C(C1)c1ccccc1)cc(c(c2Cl)O)O
InChI InChI=1S/C19H20ClNO2/c1-2-9-21-10-8-14-15(11-17(22)19(23)18(14)20)16(12-21)13-6-4-3-5-7-13/h2-7,11,16,22-23H,1,8-10,12H2
InChI Key HJWHHQIVUHOBQN-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
6-chloro-1-phenyl-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine-7,8-diol
Synonyms Click here for help
SKF 82958 | SKF82958
Database Links Click here for help
CAS Registry No. 80751-65-1
ChEMBL Ligand CHEMBL35354
GtoPdb PubChem SID 405067334
PubChem CID 1225
Search Google for chemical match using the InChIKey HJWHHQIVUHOBQN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HJWHHQIVUHOBQN
Search UniChem for chemical match using the InChIKey HJWHHQIVUHOBQN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HJWHHQIVUHOBQN