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Chemical structure of SCH 39166 hydrobromide

GC16992

SCH 39166 hydrobromide

Also known as (6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol;hydrobromide

Ecopipam (SCH 39166) hydrobromide is a potent, selective and orally active antagonist of dopamine D1/D5 receptor, with Kis of 1·2 nM and 2·0 nM, respectively

ChemicalCAS1227675-51-5MW394.73FormulaC19H20ClNO·HBr
CAS number
1227675-51-5
Molecular weight
394.73
Formula
C19H20ClNO·HBr
Solubility
＜39·47mg/ml in DMSO
InChIKey
GAUWIDFICGEZKR-JUOYHRLASA-N
Catalogue number
GC16992
Brand
GLPBIO
Computed properties PubChem CID 16759171 · TPSA 23.5 Ų · H-bond donors 2 · H-bond acceptors 2
TPSA
23.5 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
23

SMILES CN1CCC2=CC(=C(C=C2[C@@H]3[C@@H]1CCC4=CC=CC=C34)O)Cl.Br

Computed descriptors from PubChem (CID 16759171), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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