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50-52-2 molecular structure
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10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylsulfanyl)-10H-phenothiazine

ChemBase ID: 561
Molecular Formular: C21H26N2S2
Molecular Mass: 370.57454
Monoisotopic Mass: 370.15374084
SMILES and InChIs

SMILES:
S1c2c(N(CCC3N(CCCC3)C)c3c1cccc3)cc(SC)cc2
Canonical SMILES:
CSc1ccc2c(c1)N(CCC1CCCCN1C)c1c(S2)cccc1
InChI:
InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3
InChIKey:
KLBQZWRITKRQQV-UHFFFAOYSA-N

Cite this record

CBID:561 http://www.chembase.cn/molecule-561.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
10-[2-(1-methylpiperidin-2-yl)ethyl]-2-(methylsulfanyl)-10H-phenothiazine
IUPAC Traditional name
thioridazine
Brand Name
Aldazine
Mallorol
Malloryl
Meleril
Mellaril
Mellaril Hydrochloride
Mellaril-S
Mellarit
Mellerets
Mellerette
Melleretten
Melleril
Metlaril
Novoridazine
Orsanil
Ridazin
Ridazine
Sonapax
Sonapax Hydrochloride
Stalleril
Thioridazine Hcl Intensol
Thioridazine, Prolongatum
Tioridazin
Synonyms
Thioridazine Hydrochloride
Thioridazine Chloride
Thioridazin
Thoridazine Hydrochloride
Thioridazine Hcl
Thioridazine
CAS Number
50-52-2
PubChem SID
160964024
46509070
PubChem CID
5452

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
DrugBank DB00679 external link
PubChem 5452 external link
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
H Acceptors H Donor
LogD (pH = 5.5) 2.3070333  LogD (pH = 7.4) 3.9332237 
Log P 5.469306  Molar Refractivity 113.5226 cm3
Polarizability 43.827343 Å3 Polar Surface Area 6.48 Å2
Rotatable Bonds Lipinski's Rule of Five false 
Log P 5.93  LOG S -5.64 
Solubility (Water) 8.55e-04 g/l 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Solubility
0.0336 mg/L expand Show data source
Hydrophobicity(logP)
5.9 expand Show data source

DETAILS

DETAILS

DrugBank DrugBank
DrugBank - DB00679 external link
Item Information
Drug Groups approved
Description A phenothiazine antipsychotic used in the management of psychoses, including schizophrenia, and in the control of severely disturbed or agitated behavior. It has little antiemetic activity. Thioridazine has a higher incidence of antimuscarinic effects, but a lower incidence of extrapyramidal symptoms, than chlorpromazine. (From Martindale, The Extra Pharmacopoeia, 30th ed, p618)
Indication For the treatment of schizophrenia and generalized anxiety disorder.
Pharmacology Thioridazine is a trifluoro-methyl phenothiazine derivative intended for the management of schizophrenia and other psychotic disorders. Thioridazine has not been shown effective in the management of behaviorial complications in patients with mental retardation.
Toxicity LD50=956-1034 mg/kg (Orally in rats); Agitation, blurred vision, coma, confusion, constipation, difficulty breathing, dilated or constricted pupils, diminished flow of urine, dry mouth, dry skin, excessively high or low body temperature, extremely low blood pressure, fluid in the lungs, heart abnormalities, inability to urinate, intestinal blockage, nasal congestion, restlessness, sedation, seizures, shock
Affected Organisms
Humans and other mammals
Biotransformation Hepatic
Absorption 60%
Half Life 21-25 hours
Protein Binding 95%
External Links
Wikipedia
RxList
Drugs.com

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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