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cis-(Z)-Flupentixol Dihydrochloride - 10mM in DMSO, high purity , CAS No.51529-01-2
Basic Description
Synonyms
51529-01-2 | Emergil | Flupenthixol dihydrochloride | cis-(Z)-Flupenthixol dihydrochloride | 2413-38-9 | FLUPENTIXOL DIHYDROCHLORIDE | cis-(Z)-Flupentixol Dihydrochloride | Flupentixol HCl | Fupentixol dihydrochloride | (Z)-Flupenthixol dihydrochloride | Flupenthixol 2HCl | (E
Specifications & Purity
10mM in DMSO
Biochemical and Physiological Mechanisms
Antipsychotics; Antipsychotics; Dopamine receptor antagonists. Cis-(Z) -flupentixol hydrochloride (FLU) is used to treat schizophrenia and to combat anxiety and depression. Dopamine D1 plays a major role in pulmonary fluid homeostasis. It controls airway
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiopyrans
Subclass
1-benzothiopyrans
Intermediate Tree Nodes
Not available
Direct Parent
Thioxanthenes
Alternative Parents
Diarylthioethers N-alkylpiperazines Benzenoids Trialkylamines 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organofluorides Hydrochlorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thioxanthene - Diarylthioether - Aryl thioether - N-alkylpiperazine - 1,4-diazinane - Piperazine - Benzenoid - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Alkanolamine - Azacycle - Thioether - Organic nitrogen compound - Primary alcohol - Hydrochloride - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Amine - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thioxanthenes. These are organic polycyclic compounds containing a thioxanthene moiety, which is an aromatic tricycle derived from xanthene by replacing the oxygen atom with a sulfur atom.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-[4-[(3Z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol;dihydrochloride
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
Smiles
C1CN(CCN1CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO.Cl.Cl
Isomeric SMILES
C1CN(CCN1CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCO.Cl.Cl
WGK Germany
3
RTECS
TL9900000
PubChem CID
5282483
Molecular Weight
507.44
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
507.400 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
5
Exact Mass
506.117 Da
Monoisotopic Mass
506.117 Da
Topological Polar Surface Area
52.000 Ų
Heavy Atom Count
32
Formal Charge
0
Complexity
591.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
3
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