2-(4-{(3Z)-3-[2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}-1-piperazinyl)ethanol dihydrochloride

Basic Information

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CAS Number

51529-01-2

Molecular Formula

C23H27Cl2F3N2OS

Molecular Weight

507.45 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

No data available

Melting Point

194-202°C

Boiling Point

554.7°C at 760 mmHg

Flash Point

No data available

Solubility

H2O: soluble

Vapor Pressure

No data available

SMILES

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C1CN(CCN1CCC=C2C3=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

LogP

5.445300000000005

Topological Polar Surface Area

26.71 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

592

Safety Information

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Hazard Statement

Synonyms & References

English

(Z)-4-[3-[2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-1-piperazine-ethanol dihydrochloride
Fupentixol dihydrochloride
NCGC00093921-01
(Z)-Flupenthixol dihydrochloride
1-PIPERAZINEETHANOL, 4-(3-((3Z)-2-(TRIFLUOROMETHYL)-9H-THIOXANTHEN-9-YLIDENE)PROPYL)-, HYDROCHLORIDE (1:2)
Emergil
CHEMBL1496351
SCHEMBL1153162
FX 703
Tox21_500528
1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-, dihydrochloride
LP00528
cis-(Z)-Flupentixol (dihydrochloride)
HY-15856
(Z)-2-(4-(3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)piperazin-1-yl)ethanol dihydrochloride
Thioxanthene, 9-(3-(4-(2-hydroxyethyl)piperazinyl)propylidene)-2-trifluoromethyl-, dihydrochloride
1-PIPERAZINEETHANOL, 4-((3Z)-3-(2-(TRIFLUOROMETHYL)-9H-THIOXANTHEN-9-YLIDENE)PROPYL)-, DIHYDROCHLORIDE
(Z)-4-(3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-1-piperazineethanol dihydrochloride
DTXSID501017247
cis-(Z)-Flupenthixol dihydrochloride
2-(4-{(3Z)-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethan-1-ol--hydrogen chloride (1/2)
D02236
Flupentixol dihydrochloride cis-(Z)
UNII-96L0Z069N1
Flupentixol hydrochloride
2-[4-[(3Z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol;dihydrochloride
FLUPENTIXOL DIHYDROCHLORIDE, (Z)-
Prestwick_902
EU-0100528
4-[3-[2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-1-piperazineethanol dihydrochloride
2-(4-{(3Z)-3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}piperazin-1-yl)ethanol dihydrochloride

MDL Number

MFCD00069278

Customs Code

2942000000

FAQ

What is 2-(4-{(3Z)-3-[2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}-1-piperazinyl)ethanol dihydrochloride (CAS: 51529-01-2)?

2-(4-{(3Z)-3-[2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}-1-piperazinyl)ethanol dihydrochloride is a pharmaceutical intermediate used in the synthesis of anti-inflammatory and analgesic medications. It features a complex molecular structure with a piperazine ring, a thioxanthene ring, and a trifluoromethyl substituent, making it a versatile compound for medicinal chemistry.

What are the main uses of 2-(4-{(3Z)-3-[2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}-1-piperazinyl)ethanol dihydrochloride (CAS: 51529-01-2)?

This compound is primarily used as an intermediate in the development of new anti-inflammatory and analgesic drugs. It plays a crucial role in synthesizing active pharmaceutical ingredients, contributing to the creation of effective pain management and anti-inflammatory medications.

Is 2-(4-{(3Z)-3-[2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}-1-piperazinyl)ethanol dihydrochloride (CAS: 51529-01-2) safe?

The safety of 2-(4-{(3Z)-3-[2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}-1-piperazinyl)ethanol dihydrochloride depends on proper handling and use. It is classified as a hazardous material due to its chemical composition. It is important to follow all safety guidelines, including the use of personal protective equipment and proper ventilation to minimize exposure risk.

How should 2-(4-{(3Z)-3-[2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl}-1-piperazinyl)ethanol dihydrochloride (CAS: 51529-01-2) be stored?

This compound should be stored in a cool, dry place, away from direct sunlight and sources of heat. It should be kept in a tightly sealed container to prevent degradation and contamination. Storage at temperatures below 25°C is recommended to maintain stability. Additionally, it should be stored in a secure location with appropriate safety measures in place to ensure it is not accessed by unauthorized individuals.