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(Z) -Flupenthixol decanoate

CAT: 0804-HY-105657ASize: 1 EachDry Ice: NoHazardous: No
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Description
(Z) -Flupenthixol decanoate is the cis form of Flupenthixol decanoate. (Z) -Flupenthixol decanoate is a potent dopamine D1/D2 receptor antagonist. (Z) -Flupenthixol decanoate shows antipsychotic effect[1].
CAS Number
69079-98-7
UNSPSC
12352005
Target
Dopamine Receptor
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Smiles
CCCCCCCCCC(OCCN1CCN(CC/C=C2C3=C(SC4=C\2C=CC=C4)C=CC(C(F)(F)F)=C3)CC1)=O
Molecular Formula
C33H43F3N2O2S
Molecular Weight
588.77
References & Citations
[1]Stauning et al. Comparison of serum levels after intramuscular injections of 2% and 10% cis (Z) -flupentixol decanoate in Viscoleo to schizophrenic patients. Psychopharmacology (Berl) . 1979 Sep;65 (1) :69-72.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
D1 Receptor; D2 Receptor

Chemical Information

Flupentixol decanoate, (Z)-
CAS Number69079-98-7
PubChem CID10415975
IUPAC Name2-[4-[(3Z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethyl decanoate
Molecular FormulaC33H43F3N2O2S
Molecular Weight588.8
XLogP9.2
Topological Polar Surface Area58.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Heavy Atom Count41
Formal Charge0
Complexity815
SMILES
CCCCCCCCCC(=O)OCCN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
InChI
InChI=1S/C33H43F3N2O2S/c1-2-3-4-5-6-7-8-15-32(39)40-24-23-38-21-19-37(20-22-38)18-11-13-27-28-12-9-10-14-30(28)41-31-17-16-26(25-29(27)31)33(34,35)36/h9-10,12-14,16-17,25H,2-8,11,15,18-24H2,1H3/b27-13-
InChIKey
UIKWDDSLMBHIFT-WKIKZPBSSA-N
Chemical Structure
2D Structure
2D structure of Flupentixol decanoate, (Z)-
CAS: 69079-98-7
CID: 10415975
Formula: C33H43F3N2O2S
MW: 588.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight588.8
XLogP39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass588.29973428
Monoisotopic Mass588.29973428
Topological Polar Surface Area58.1 Ų
Heavy Atom Count41
Formal Charge0
Complexity815
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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