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Ecopipam hydrochloride

CAT: 0931-T61201-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T61201-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
190133-94-9
Target
Dopamine Receptor, 5-HT Receptor, Adrenergic Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Bioactivity
Ecopipam (SCH 39166) hydrochloride is a highly potent, selective, and orally active antagonist of dopamine D1/D5 receptors. It exhibits impressive binding affinities, with Ki values of 1.2 nM and 2.0 nM for D1 and D5 receptors, respectively. Ecopipam hydrochloride demonstrates remarkable selectivity, displaying over 40-fold selectivity compared to D2, D4, 5-HT, and α2a receptors, with Ki values of 0.98 μM, 5.52 μM, 0.08 μM, and 0.73 μM, respectively. Its application extends to various areas of research, including schizophrenia, cocaine addiction, and obesity [1] [3].
Smiles
Cl.[H][C@]12CCc3ccccc3[C@]1([H])c1cc(O)c(Cl)cc1CCN2C
Molecular Formula
C19H21Cl2NO
Molecular Weight
350.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Ecopipam Hydrochloride

See also: Ecopipam (has active moiety).

CAS Number190133-94-9
PubChem CID170317
IUPAC Name(6aS,13bR)-11-chloro-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-12-ol;hydrochloride
Molecular FormulaC19H21Cl2NO
Molecular Weight350.3
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count23
Formal Charge0
Complexity403
SMILES
CN1CCC2=CC(=C(C=C2[C@@H]3[C@@H]1CCC4=CC=CC=C34)O)Cl.Cl
InChI
InChI=1S/C19H20ClNO.ClH/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21;/h2-5,10-11,17,19,22H,6-9H2,1H3;1H/t17-,19+;/m0./s1
InChIKey
APFMVAHRFWBCDG-JUOYHRLASA-N
Chemical Structure
2D Structure
2D structure of Ecopipam Hydrochloride
CAS: 190133-94-9
CID: 170317
Formula: C19H21Cl2NO
MW: 350.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass349.1000197
Monoisotopic Mass349.1000197
Topological Polar Surface Area23.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity403
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-14689-01Ecopipam (hydrochloride)
GTR19257410-01Ecopipam hydrochloride
GTR19194595-01Ecopipam
GC7047-5mgEcopipam-d6
HY-110033Ecopipam (hydrobromide)
HY-14690S-01Ecopipam-d4
AR-E09284-01Ecopipam HBr
AR-E09287-01N-Desmethyl Ecopipam
AR-E09282-01Ecopipam-13C6 O-Glucuronide
HY-14690B-01Rel-Ecopipam (hydrobromide)

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