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Pinoxepin HCl

CAT: 0931-T25958-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T25958-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
14008-46-9
Target
Others, Endogenous Metabolite
Related Pathways
Metabolism, Others
Purity
0.9805
Bioactivity
Pinoxepin HCl is a tricyclic antipsychotic with inhibitory activity against spiroperidol.
Smiles
OCCN(CC1)CCN1CC/C=C2C3=CC(Cl)=CC=C3OCC4=CC=CC=C4\2.Cl.Cl
Molecular Formula
C23H29Cl3N2O2
Molecular Weight
471.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Pinoxepin Hydrochloride
CAS Number14008-46-9
PubChem CID6433591
IUPAC Name2-[4-[(3Z)-3-(2-chloro-6H-benzo[c][1]benzoxepin-11-ylidene)propyl]piperazin-1-yl]ethanol;dihydrochloride
Molecular FormulaC23H29Cl3N2O2
Molecular Weight471.8
Topological Polar Surface Area35.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity521
SMILES
C1CN(CCN1CC/C=C\2/C3=CC=CC=C3COC4=C2C=C(C=C4)Cl)CCO.Cl.Cl
InChI
InChI=1S/C23H27ClN2O2.2ClH/c24-19-7-8-23-22(16-19)21(20-5-2-1-4-18(20)17-28-23)6-3-9-25-10-12-26(13-11-25)14-15-27;;/h1-2,4-8,16,27H,3,9-15,17H2;2*1H/b21-6-;;
InChIKey
URBVIISFALGUAB-LZWUXPCZSA-N
Chemical Structure
2D Structure
2D structure of Pinoxepin Hydrochloride
CAS: 14008-46-9
CID: 6433591
Formula: C23H29Cl3N2O2
MW: 471.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass470.129461
Monoisotopic Mass470.129461
Topological Polar Surface Area35.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity521
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
BUP24179-01Pinoxepin HCl
HY-130689Pinoxepin (hydrochloride)

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