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Flupentixol Decanoate

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Also known as: Flupenthixol decanoate, 30909-51-4, Flupentixol decanoate, (e)-, 55irh67u29, 201213-08-3, Decanoic acid, 2-(4-((3e)-3-(2-(trifluoromethyl)-9h-thioxanthen-9-ylidene)propyl)-1-piperazinyl)ethyl ester

Molecular Formula

C₃₃H₄₃F₃N₂O₂S

Molecular Weight

588.8 g/mol

InChI Key

UIKWDDSLMBHIFT-UVHMKAGCSA-N

FDA UNII

55IRH67U29

1 2D Structure

Flupentixol Decanoate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[4-[(3E)-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-UVHMKAGCSA-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

55IRH67U29

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Depixol

2. Flupenthixol Decanoate

3. Flupenthixol Decanoate, (z)-isomer

2.3.2 Depositor-Supplied Synonyms

1. Flupenthixol Decanoate

2. 30909-51-4

3. Flupentixol Decanoate, (e)-

4. 55irh67u29

5. 201213-08-3

6. Decanoic Acid, 2-(4-((3e)-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, (e)-

8. Einecs 250-385-6

9. Unii-3b2fe28c1w

10. (e)-flupentixol Decanoate

11. 2-(4-(3-(2-trifluoromethyl-9-thioxanthenylidene)propyl)-1-piper Azinyl)ethyl Decanoate

12. Unii-55irh67u29

13. 3b2fe28c1w

14. Dtxsid10897160

15. Akos015961763

16. 2-(4-(3-(2-(trifluoromethyl)-9h-thioxanthen-9-ylidene)propyl)-1-piperazinyl)ethyl Decanoate

17. 2-[4-[(3e)-3-[2-(trifluoromethyl)thioxanthen-9-ylidene]propyl]piperazin-1-yl]ethyl Decanoate

18. Ncgc00532514-01

19. Ac-15023

20. Q27896316

2.4 Create Date

2006-04-28

3 Chemical and Physical Properties

Molecular Formula	C₃₃H₄₃F₃N₂O₂S
Molecular Weight	588.8 g/mol
XLogP3	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	15
Exact Mass	588.29973428 g/mol
Monoisotopic Mass	588.29973428 g/mol
Topological Polar Surface Area	58.1 Å²
Heavy Atom Count	41
Formal Charge	0
Complexity	815
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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.)