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Chemistry

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Also known as: Flupentixol decanoate, 06s5u14a4g, 69079-98-7, 30909-51-4, 2-[4-[(3z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethyl decanoate, Decanoic acid, 2-(4-((3z)-3-(2-(trifluoromethyl)-9h-thioxanthen-9-ylidene)propyl)-1-piperazinyl)ethyl ester
Molecular Formula
C33H43F3N2O2S
Molecular Weight
588.8  g/mol
InChI Key
UIKWDDSLMBHIFT-WKIKZPBSSA-N
FDA UNII
06S5U14A4G

Flupentixol Decanoate, (Z)-
1 2D Structure

Flupentixol Decanoate, (Z)-

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[4-[(3Z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethyl decanoate
2.1.2 InChI
InChI=1S/C33H43F3N2O2S/c1-2-3-4-5-6-7-8-15-32(39)40-24-23-38-21-19-37(20-22-38)18-11-13-27-28-12-9-10-14-30(28)41-31-17-16-26(25-29(27)31)33(34,35)36/h9-10,12-14,16-17,25H,2-8,11,15,18-24H2,1H3/b27-13-
2.1.3 InChI Key
UIKWDDSLMBHIFT-WKIKZPBSSA-N
2.1.4 Canonical SMILES
CCCCCCCCCC(=O)OCCN1CCN(CC1)CCC=C2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
2.1.5 Isomeric SMILES
CCCCCCCCCC(=O)OCCN1CCN(CC1)CC/C=C\2/C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F
2.2 Other Identifiers
2.2.1 UNII
06S5U14A4G
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Depixol

2. Flupenthixol Decanoate

3. Flupenthixol Decanoate, (z)-isomer

4. Flupentixol Decanoate

2.3.2 Depositor-Supplied Synonyms

1. Flupentixol Decanoate

2. 06s5u14a4g

3. 69079-98-7

4. 30909-51-4

5. 2-[4-[(3z)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethyl Decanoate

6. Decanoic Acid, 2-(4-((3z)-3-(2-(trifluoromethyl)-9h-thioxanthen-9-ylidene)propyl)-1-piperazinyl)ethyl Ester

7. Decanoic Acid, 2-(4-(3-(2-(trifluoromethyl)-9h-thioxanthen-9-ylidene)propyl)-1-piperazinyl)ethyl Ester, (z)-

8. Fluanxol Depot (tn)

9. (z)-flupentixol Decanoate

10. Flupentixoldecanoate

11. Unii-06s5u14a4g

12. D07976

13. 909f514

14. Q27896258

2.4 Create Date
2006-10-25
3 Chemical and Physical Properties
Molecular Weight 588.8 g/mol
Molecular Formula C33H43F3N2O2S
XLogP39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass588.29973428 g/mol
Monoisotopic Mass588.29973428 g/mol
Topological Polar Surface Area58.1 Ų
Heavy Atom Count41
Formal Charge0
Complexity815
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Dopamine Antagonists

Drugs that bind to but do not activate DOPAMINE RECEPTORS, thereby blocking the actions of dopamine or exogenous agonists. Many drugs used in the treatment of psychotic disorders (ANTIPSYCHOTIC AGENTS) are dopamine antagonists, although their therapeutic effects may be due to long-term adjustments of the brain rather than to the acute effects of blocking dopamine receptors. Dopamine antagonists have been used for several other clinical purposes including as ANTIEMETICS, in the treatment of Tourette syndrome, and for hiccup. Dopamine receptor blockade is associated with NEUROLEPTIC MALIGNANT SYNDROME. (See all compounds classified as Dopamine Antagonists.)


Tranquilizing Agents

A traditional grouping of drugs said to have a soothing or calming effect on mood, thought, or behavior. Included here are the ANTI-ANXIETY AGENTS (minor tranquilizers), ANTIMANIC AGENTS, and the ANTIPSYCHOTIC AGENTS (major tranquilizers). These drugs act by different mechanisms and are used for different therapeutic purposes. (See all compounds classified as Tranquilizing Agents.)


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