Products for Research Use Only

Cloxypendyl 2HCl

CAT: 0013-GTR19241737-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241737-01Size:50 mg
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Description
Cloxypendyl dihydrochloride is a small molecule antipsychotic agent for research use. It is employed in pharmacological studies, including in vitro receptor binding assays and in vivo models, to investigate the mechanisms and effects of typical antipsychotic compounds.
CAS Number
19824-89-6
Smiles
ClC1=CN=C2C (SC3=C (N2CCCN4CCN (CC4) CCO) C=CC=C3) =C1.Cl.Cl
Molecular Formula
C20H27Cl3N4OS
Molecular Weight
477.88
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cloxypendyl dihydrochloride
CAS Number19824-89-6
PubChem CID209399
IUPAC Name2-[4-[3-(3-chloropyrido[3,2-b][1,4]benzothiazin-10-yl)propyl]piperazin-1-yl]ethanol;dihydrochloride
Molecular FormulaC20H27Cl3N4OS
Molecular Weight477.9
Topological Polar Surface Area68.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity465
SMILES
C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2N=CC(=C4)Cl)CCO.Cl.Cl
InChI
InChI=1S/C20H25ClN4OS.2ClH/c21-16-14-19-20(22-15-16)25(17-4-1-2-5-18(17)27-19)7-3-6-23-8-10-24(11-9-23)12-13-26;;/h1-2,4-5,14-15,26H,3,6-13H2;2*1H
InChIKey
WVSXGJGMBMQHLN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cloxypendyl dihydrochloride
CAS: 19824-89-6
CID: 209399
Formula: C20H27Cl3N4OS
MW: 477.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight477.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass476.097116
Monoisotopic Mass476.097116
Topological Polar Surface Area68.1 Ų
Heavy Atom Count29
Formal Charge0
Complexity465
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes