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cis-Flupenthixol (hydrochloride)

CAT: 0607-C5314-10Size: 10 mgDry Ice: NoHazardous: No
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Description
antagonist at dopamine D2 receptors
CAS Number
51529-01-2
Product Name Alternative
4-[3-[(3Z)-2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-1-piperazineethanol, dihydrochloride
Sequence
cis-Flupentixol
Field of Research
Neuroscience Dopamine Receptor
Purity
≥ 95.00%
Form
A crystalline solid
Solubility
≤1mg/ml in ethanol;25mg/ml in DMSO;15mg/ml in dimethyl formamide
Smiles
OCCN(CC1)CCN1CC/C=C2C3=C(C=CC(C(F)(F)F)=C3)SC4=CC=CC=C4\2.Cl.Cl
Molecular Formula
C23H25F3N2OS·2HCl
Molecular Weight
507.4
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Flupentixol Dihydrochloride

Cis-flupenthixol dihydrochloride is the dihydrochloride salt of cis-flupenthixol. It has a role as a geroprotector. It contains a cis-flupenthixol(2+).

CAS Number51529-01-2
PubChem CID5282483
IUPAC Name2-[4-[(3Z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol;dihydrochloride
Molecular FormulaC23H27Cl2F3N2OS
Molecular Weight507.4
Topological Polar Surface Area52
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity591
SMILES
C1CN(CCN1CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO.Cl.Cl
InChI
InChI=1S/C23H25F3N2OS.2ClH/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29;;/h1-2,4-8,16,29H,3,9-15H2;2*1H/b18-5-;;
InChIKey
IOVDQEIIMOZNNA-MHKBYHAFSA-N
Chemical Structure
2D Structure
2D structure of Flupentixol Dihydrochloride
CAS: 51529-01-2
CID: 5282483
Formula: C23H27Cl2F3N2OS
MW: 507.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight507.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass506.1173245
Monoisotopic Mass506.1173245
Topological Polar Surface Area52 Ų
Heavy Atom Count32
Formal Charge0
Complexity591
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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