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Sonepiprazole hydrochloride

CAT: 0013-GTR19209725-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209725-01Size:25 mg
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Description
Sonepiprazole hydrochloride is a selective dopamine D4 receptor antagonist. It is a research tool used in vitro and in vivo to investigate the role of D4 receptors in neuropsychiatric conditions such as schizophrenia and addiction.
CAS Number
170857-36-0
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
Cl.NS (=O) (=O) c1ccc (cc1) N1CCN (CC[C@@H]2OCCc3ccccc23) CC1
Molecular Formula
C21H28ClN3O3S
Molecular Weight
437.98
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sonepiprazole hydrochloride
CAS Number170857-36-0
PubChem CID91826499
IUPAC Name4-[4-[2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]ethyl]piperazin-1-yl]benzenesulfonamide;hydrochloride
Molecular FormulaC21H28ClN3O3S
Molecular Weight438.0
Topological Polar Surface Area84.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity593
SMILES
C1CO[C@H](C2=CC=CC=C21)CCN3CCN(CC3)C4=CC=C(C=C4)S(=O)(=O)N.Cl
InChI
InChI=1S/C21H27N3O3S.ClH/c22-28(25,26)19-7-5-18(6-8-19)24-14-12-23(13-15-24)11-9-21-20-4-2-1-3-17(20)10-16-27-21;/h1-8,21H,9-16H2,(H2,22,25,26);1H/t21-;/m0./s1
InChIKey
LMERFPJRWBLXAM-BOXHHOBZSA-N
Chemical Structure
2D Structure
2D structure of Sonepiprazole hydrochloride
CAS: 170857-36-0
CID: 91826499
Formula: C21H28ClN3O3S
MW: 438.0
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight438.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass437.1539906
Monoisotopic Mass437.1539906
Topological Polar Surface Area84.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity593
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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