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146-54-3 molecular structure
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dimethyl({3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl})amine

ChemBase ID: 390
Molecular Formular: C18H19F3N2S
Molecular Mass: 352.4170696
Monoisotopic Mass: 352.12210428
SMILES and InChIs

SMILES:
S1c2c(N(CCCN(C)C)c3c1cccc3)cc(cc2)C(F)(F)F
Canonical SMILES:
CN(CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F)C
InChI:
InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
InChIKey:
XSCGXQMFQXDFCW-UHFFFAOYSA-N

Cite this record

CBID:390 http://www.chembase.cn/molecule-390.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dimethyl({3-[2-(trifluoromethyl)-10H-phenothiazin-10-yl]propyl})amine
IUPAC Traditional name
triflupromazine
Brand Name
Adazine
Fluopromazine
Psyquil
Siquil
Trifluopromazine
Synonyms
Triflupromazine
CAS Number
146-54-3
PubChem SID
46507344
160963853
PubChem CID
5568

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
DrugBank DB00508 external link
PubChem 5568 external link
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
H Acceptors H Donor
LogD (pH = 5.5) 1.52148  LogD (pH = 7.4) 3.013445 
Log P 4.808804  Molar Refractivity 94.9252 cm3
Polarizability 35.040066 Å3 Polar Surface Area 6.48 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Log P 4.95  LOG S -5.29 
Solubility (Water) 1.80e-03 g/l 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Hydrophobicity(logP)
5.2 expand Show data source

DETAILS

DETAILS

DrugBank DrugBank
DrugBank - DB00508 external link
Item Information
Drug Groups approved
Description A phenothiazine used as an antipsychotic agent and as an antiemetic. [PubChem]
Indication Used mainly in the management of psychoses. Also used to control nausea and vomiting.
Pharmacology Triflupromazine is a member of a class of drugs called phenthiazines, which are dopamine D1/D2 receptor antagonists. Phenothiazines are used to treat serious mental and emotional disorders, including schizophrenia and other psychotic disorders. It reduces anxiety, emotional withdrawal, hallucinations, disorganized thoughts, blunted mood, and suspiciousness. Triflupromazine is used particularly to control violent behavior during acute episodes of psychotic disorders. It can also be used to control severe nausea and vomiting, severe hiccups, and moderate to severe pain in some hospitalized patients. Triflupromazine acts on the central nervous system.
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.
Absorption Absorption may be erratic and peak plasma concentrations show large interindividual differences.
Protein Binding Very high (90% or more).
External Links
Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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