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Etoperidone

CAT: 0931-T201838-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T201838-01Size:10 mg
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CAS Number
52942-31-1
Target
Adrenergic Receptor, 5-HT Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Bioactivity
Etoperidone is an antidepressant that acts as an orally active reuptake inhibitor for serotonin (serotonin) and noradrenaline (nor-adrenaline) . It demonstrates specific binding affinities (Kd) for several receptors: 36 nM at the 5-HT2 receptor, 38 nM at the α1-adrenergic receptor (α1-adrenergic receptor), 85 nM at the 5-HT1A receptor, and 570 nM at the α2-adrenergic receptor (α2-adrenergic receptor) .
Smiles
O=C1N(N=C(N1CC)CC)CCCN2CCN(C=3C=CC=C(Cl)C3)CC2
Molecular Formula
C19H28ClN5O
Molecular Weight
377.91
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Etoperidone

Etoperidone is a member of piperazines.

CAS Number52942-31-1
PubChem CID40589
IUPAC Name2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-4,5-diethyl-1,2,4-triazol-3-one
Molecular FormulaC19H28ClN5O
Molecular Weight377.9
XLogP3
Topological Polar Surface Area42.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count26
Formal Charge0
Complexity506
SMILES
CCC1=NN(C(=O)N1CC)CCCN2CCN(CC2)C3=CC(=CC=C3)Cl
InChI
InChI=1S/C19H28ClN5O/c1-3-18-21-25(19(26)24(18)4-2)10-6-9-22-11-13-23(14-12-22)17-8-5-7-16(20)15-17/h5,7-8,15H,3-4,6,9-14H2,1-2H3
InChIKey
IZBNNCFOBMGTQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Etoperidone
CAS: 52942-31-1
CID: 40589
Formula: C19H28ClN5O
MW: 377.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.9
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass377.1982382
Monoisotopic Mass377.1982382
Topological Polar Surface Area42.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity506
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T202663-01Etoxeridine HCl

Alternative Products

CatalogName
HY-106617-01Etoperidone
011868Etoperidone Hydrochloride
HY-106617AEtoperidone (hydrochloride)
HY-106617AS-01Etoperidone-d8 (hydrochloride)
011869Etoperidone-d8 Hydrochloride

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