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Flupenthixol dihydrochloride structure, CAS 51529-01-2

Flupenthixol dihydrochloride

CAS Number51529-01-2

Synonyms(Z)-4-(3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-1-piperazineethanol dihydrochloride; 1-Piperazineethanol, 4-[3-[2- (trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-, dihydrochloride; cis-Flupentixol Hydrochloride; FUPENTIXOL DIHYDROCHLORIDE; FLUPENTIXOL DIHYDROCHLORIDE; 4-[3-[(3Z)-2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-1-piperazineethanol Hydrochloride; a-Flupenthixol Hydrochloride; Zimelidine dihydrochloride; Fupentixol HCl; 4-[3-[2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-1-piperazineethanol dihydrochloride; (Z)-4-[3-[2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-1-piperazineethanol dihydrochloride; Metamin; Thioxanthene, 9-(3-(4-(2-hydroxyethyl)piperazinyl)propylidene)-2-trifluoromethyl-, dihydrochloride; Fluanxol dihydrochloride; CIS-(Z)-

Molecular FormulaC23H27Cl2F3N2OS

Molecular Weight507.440

Purity98.00%

Density

Boiling Point554.7ºC at 760 mmHg

Melting Point194-202ºC

Flash Point

Appearancewhite to off-white

EINECS

MSDSChineseEnglish

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Signal WordWarning

Cat. No.: 2A-9043504 Purity: 98.00%
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Quality Control of [ 51529-01-2 ] Purity: 98.00% SDS Specification MoL

COA NMR CNMR HPLC LC-MS
Chemical & Physical Properties
CAS Number51529-01-2
Catalog No.2A-9043504
Chinese Name盐酸氟哌噻吨
Synonyms(Z)-4-(3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-1-piperazineethanol dihydrochloride; 1-Piperazineethanol, 4-[3-[2- (trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-, dihydrochloride; cis-Flupentixol Hydrochloride; FUPENTIXOL DIHYDROCHLORIDE; FLUPENTIXOL DIHYDROCHLORIDE; 4-[3-[(3Z)-2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-1-piperazineethanol Hydrochloride; a-Flupenthixol Hydrochloride; Zimelidine dihydrochloride; Fupentixol HCl; 4-[3-[2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-1-piperazineethanol dihydrochloride; (Z)-4-[3-[2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-1-piperazineethanol dihydrochloride; Metamin; Thioxanthene, 9-(3-(4-(2-hydroxyethyl)piperazinyl)propylidene)-2-trifluoromethyl-, dihydrochloride; Fluanxol dihydrochloride; CIS-(Z)-
Molecular FormulaC23H27Cl2F3N2OS
Molecular Weight507.440
Purity98.00
Boiling Point554.7ºC at 760 mmHg
Melting Point194-202ºC
Appearancewhite to off-white
Water SolubilityH2O: soluble
Storage Condition-20°C Freezer
Applicationcis-(Z)-Flupentixol dihydrochloride is a potent and selective antagonist of dopamine DA D1/D2 receptors, with Ki values ​​of 0.38 nM and 7 nM for D2 receptors and 5-HT2A, respectively.
HTC2942000000
PubChem ID7849295
SMILESCl.OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1
InChIInChI=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+;;
InChI KeyZQAWQVWCKYGMNE-CVIBNLPVSA-N
Hazard Symbolstransportation
Bioactivitycis-(Z)-Flupentixol dihydrochloride is a potent and selective DA D1/D2 receptor antagonist, with Ki values of 0.38 nM and 7 nM for D2 receptor and 5-HT2A, respectively[1][2]. Related Catalog Signaling Pathways >> GPCR/G Protein >> Dopamine Receptor Signaling Pathways >> Neuronal Signaling >> Dopamine Receptor Research Areas >> Neurological Disease Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor Target D2 Receptor:0.38 nM (Ki) 5-HT2A Receptor:7 nM (Ki) In Vivo cis-(Z)-Flupentixol (0.25, or 0.5 mg/kg, i.p.) pretreatment dose-dependently reduces cocaine-induced activity[1]. Animal Model: Rats[1]. Dosage: 0.125, 0.25, or 0.5 mg/kg. Administration: IP. Result: Reduced cocaine-induced activity. References [1]. Jennifer M Wenzel, et al. The dopamine antagonist cis-flupenthixol blocks the expression of the conditioned positive but not the negative effects of cocaine in rats. Pharmacol Biochem Behav. 2013 Dec;114-115:90-6. [2]. Philip Seeman, et al. Atypical antipsychotics: mechanism of action. Can J Psychiatry. 2002 Feb;47(1):27-38. Chemical & Physical Properties Boiling Point 554.7ºC at 760 mmHg Melting Point 194-202ºC Molecular Formula C23H27Cl2F3N2OS Molecular Weight 507.440 Flash Point 289.3ºC Exact Mass 506.117310 PSA 52.01000 LogP 6.08150 Appearance of Characters white to off-white InChIKey ZQAWQVWCKYGMNE-CVIBNLPVSA-N SMILES Cl.OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 Storage condition -20°C Freezer Water Solubility H2O: soluble
Use ofProperties Name Flupenthixol dihydrochloride Synonym More Synonyms cis-(Z)-Flupentixol dihydrochloride Biological Activity Related Catalog Signaling Pathways >> GPCR/G Protein >> Dopamine Receptor Signaling Pathways >> Neuronal Signaling >> Dopamine Receptor Research Areas >> Neurological Disease Signaling Pathways >> GPCR/G Protein >> 5-HT Receptor Signaling Pathways >> Neuronal Signaling >> 5-HT Receptor D2 Receptor:0.38 nM (Ki) 5-HT2A Receptor:7 nM (Ki) References [1]. Jennifer M Wenzel, et al. The dopamine antagonist cis-flupenthixol blocks the expression of the conditioned positive but not the negative effects of cocaine in rats. Pharmacol Biochem Behav. 2013 Dec;114-115:90-6. [2]. Philip Seeman, et al. Atypical antipsychotics: mechanism of action. Can J Psychiatry. 2002 Feb;47(1):27-38. Chemical & Physical Properties Exact Mass 506.117310 PSA 52.01000 LogP 6.08150 Appearance of Characters white to off-white InChIKey ZQAWQVWCKYGMNE-CVIBNLPVSA-N Water Solubility H2O: soluble
Transport InfoShipping Name: UN
MSDS Transport InfoModule 14. Shipping information 14.1 UN dangerous goods number European Dangerous Regulations for land transport: 2811 International Dangerous Regulations for sea transport: 2811 International Dangerous Regulations for air transport: 2811 14.2 United Nations shipping name European Land Transport Dangerous Regulations: TOXIC SOLID, ORGANIC, N.O.S. (cis-(Z)-Flupenthixol dihydrochloride) IMDG Code: TOXIC SOLID, ORGANIC, N.O.S. (cis-(Z)-Flupenthixol dihydrochloride) International air transport hazard regulations: Toxic solid, organic, n.o.s. (cis-(Z)-Flupenthixol dihydrochloride) 14.3 Transport hazard categories European Land Transport Danger Regulations: 6.1 International Maritime Transport Danger Regulations: 6.1 International Air Transport Danger Regulations: 6.1 14.4 Package group European Land Transport Danger Regulations: III International Maritime Transport Danger Regulations: III International Air Transport Danger Regulations: III 14.5 Environmental hazards European Land Transport Danger Regulations: No International Maritime Danger Regulations International Air Transport Danger Regulations: No Marine pollutants (yes/no): No 14.6 Special reminder to users No data available
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