TRANS-(E)-FLUPENTHIXOL

Modify Date: 2025-09-18 11:51:39

TRANS-(E)-FLUPENTHIXOL structure	Common Name	TRANS-(E)-FLUPENTHIXOL
	CAS Number	53772-85-3	Molecular Weight	434.51800
	Density	1.306 g/cm3	Boiling Point	289.3ºC
	Molecular Formula	C₂₃H₂₅F₃N₂OS	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	2-[4-[(3E)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethanol
Synonym	More Synonyms

Density	1.306 g/cm3
Boiling Point	289.3ºC
Molecular Formula	C₂₃H₂₅F₃N₂OS
Molecular Weight	434.51800
Exact Mass	434.16400
PSA	52.01000
LogP	4.47750
InChIKey	NJMYODHXAKYRHW-BLLMUTORSA-N
SMILES	OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: TL9902000

CHEMICAL NAME :: 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)-9H-thioxanthen-9-ylidene)pr opyl)-, (E)-

CAS REGISTRY NUMBER :: 53772-85-3

LAST UPDATED :: 199103

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C23-H25-F3-N2-O-S

MOLECULAR WEIGHT :: 434.56

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >400 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 23,884,1980

N-(2-Hydroxyeth...

CAS#:103-76-4

9-prop-2-enylid...

CAS#:28973-34-4

Flupentixol

CAS#:2709-56-0

TRANS-(E)-FLUPE...

CAS#:53772-85-3

Literature: LABORATORIO CHIMICO INTERNAZIONALE S.P.A. Patent: WO2005/37820 A1, 2005 ; Location in patent: Page/Page column 8-9 ;

Precursor 2
CAS#:103-76-4 N-(2-Hydroxyeth... CAS#:28973-34-4 9-prop-2-enylid...
DownStream 0

Name: Anti MDR activity was expressed as MDR ratio or MDR fold reversal in doxorubicin resi...
Source: ChEMBL
Target: MCF7-DOX
External Id: CHEMBL710914

Name: Hypothermia in mice after perorla administration
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL718440

Name: Partition coefficient (logD6.5)
Source: ChEMBL
Target: N/A
External Id: CHEMBL646647

Name: Displacement of [3H](-)-trans-H2-PAT from Guinea pig histamine H2 receptors.
Source: ChEMBL
Target: Histamine H2 receptor
External Id: CHEMBL693176

Name: HIV Cellular Data
Source: NIAID
Target: N/A
External Id: HIV Cellular Data

Name: The compound was tested for affinity towards sigma-3 receptor
Source: ChEMBL
Target: Sigma non-opioid intracellular receptor 1
External Id: CHEMBL805753

Name: Compound was evaluated for its ability to block conditioned avoidance response (CAR) ...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL774761

Name: Lethal dose in mice after perorla administration
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL739104

Name: Hypothermia in mice after peroral administration
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL736898

Name: TP_TRANSPORTER: inhibition of Azidopine photoaffinity labelling (Azidopine: 0.2 uM, t...
Source: ChEMBL
Target: ATP-dependent translocase ABCB1
External Id: CHEMBL2075197

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FLUPENTHIXOL

trans-Flupentixol

FLUPENTIXOLE

EINECS 258-759-0

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Purity: 98.0%
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Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

TRANS-(E)-FLUPENTHIXOLBioassay

Synonyms

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.