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440-17-5 molecular structure
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10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine

ChemBase ID: 710
Molecular Formular: C21H24F3N3S
Molecular Mass: 407.4955696
Monoisotopic Mass: 407.16430344
SMILES and InChIs

SMILES:
S1c2c(N(CCCN3CCN(CC3)C)c3c1cccc3)cc(cc2)C(F)(F)F
Canonical SMILES:
CN1CCN(CC1)CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F
InChI:
InChI=1S/C21H24F3N3S/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)28-20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3
InChIKey:
ZEWQUBUPAILYHI-UHFFFAOYSA-N

Cite this record

CBID:710 http://www.chembase.cn/molecule-710.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
10-[3-(4-methylpiperazin-1-yl)propyl]-2-(trifluoromethyl)-10H-phenothiazine
IUPAC Traditional name
trifluoperazine
Brand Name
Eskazine
Eskazinyl
Fluoperazine
Jatroneural
Modalina
Novo-Trifluzine
Stelazine
Stellazine
Synklor
Terfluzine
Trazine
Triflurin
Triftazin
Triftazine
Triperazine
Triphtazin
Triphtazine
Triphthasine
Triphthazine
Tryptazine
Synonyms
10-[3-(4-Methyl-1-piperazinyl)propyl]-2-(trifluoromethyl)-10H-phenothiazine Dihydrochloride
Triftazin
Triphthasine
Eskazinyl
Eskazine
Modalina
Stelazine
Trifluoperazine Dihydrochloride
Trifluoperazine Dihydrochloride
Trifluoperazine HCl
Trifluoroperazine Hydrochloride
Trifluoroperazine Dihydrochloride
Trifluoperazine Hydrochloride
Trifluoromethylperazine
Trifluoroperazine
Triphthazine Dihydrochloride
Tryptazine Dihydrochloride
Trifluoperazin
Trifluoperazina
Trifluperazine
Trifluroperizine
Trifluoperazine
CAS Number
440-17-5
117-89-5
PubChem SID
46507961
160964173
PubChem CID
5566
CHEBI ID
45951
ATC CODE
N05AB06
CHEMBL
422
Chemspider ID
5365
DrugBank ID
DB00831
IUPHAR ligand ID
214
Unique Ingredient Identifier
214IZI85K3
Wikipedia Title
Trifluoperazine
Medline Plus
a682121

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
TRC
T779200 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
H Acceptors H Donor
LogD (pH = 5.5) 1.8602431  LogD (pH = 7.4) 3.6257002 
Log P 4.655924  Molar Refractivity 110.9753 cm3
Polarizability 41.350826 Å3 Polar Surface Area 9.72 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Log P 4.87  LOG S -4.67 
Solubility (Water) 8.76e-03 g/l 

PROPERTIES

PROPERTIES

Physical Property Safety Information Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
0.0122 mg/mL at 24 oC [YALKOWSKY,SH & DANNENFELSER,RM (1992)] expand Show data source
Water expand Show data source
Apperance
Off-White Solid expand Show data source
Melting Point
236-238°C expand Show data source
Hydrophobicity(logP)
4.9 expand Show data source
Storage Condition
-20°C Freezer expand Show data source
Storage Warning
Hygroscopic expand Show data source
MSDS Link
Download expand Show data source
Admin Routes
oral, IM expand Show data source
Half Life
10–20 hours expand Show data source
Metabolism
Hepatic expand Show data source
Legal Status
POM (UK) expand Show data source
Rx-only (US) expand Show data source
Pregnancy Category
C (Australia) expand Show data source
C (US) expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

DrugBank DrugBank Wikipedia Wikipedia TRC TRC
DrugBank - DB00831 external link
Item Information
Drug Groups approved
Description A phenothiazine with actions similar to chlorpromazine. It is used as an antipsychotic and an antiemetic. [PubChem]
Indication For the treatment of anxiety disorders, depressive symptoms secondary to anxiety and agitation.
Pharmacology Trifluoperazine is a trifluoro-methyl phenothiazine derivative intended for the management of schizophrenia and other psychotic disorders. Trifluoperazine has not been shown effective in the management of behaviorial complications in patients with mental retardation.
Toxicity Symptoms of overdose include agitation, coma, convulsions, difficulty breathing, difficulty swallowing, dry mouth, extreme sleepiness, fever, intestinal blockage, irregular heart rate, low blood pressure, and restlessness.
Affected Organisms
Humans and other mammals
Biotransformation Hepatic.
Half Life 10-20 hours
External Links
Wikipedia
RxList
PDRhealth
Drugs.com

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Flanagan, T.L., et al.: J. Pharm. Sci., 51, 996 (1962)
  • • Post., A., et al.: Anal. Profiles Drug Subs., 9, 543 (1980)
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PATENTS

PATENTS

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INTERNET

INTERNET

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