TRANS-(E)-FLUPENTHIXOL

Modify Date: 2024-01-12 19:51:18

TRANS-(E)-FLUPENTHIXOL Structure
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

 Names

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

 Chemical & Physical Properties

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

 Toxicological Information

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

 Synthetic Route

~%

TRANS-(E)-FLUPENTHIXOL Structure

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 & DownStream

Precursor  2

DownStream  0

 Synonyms

FLUPENTHIXOL
trans-Flupentixol
FLUPENTIXOLE
EINECS 258-759-0
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