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Chemistry

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Also known as: 75067-66-2, 4-(4-bromophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)piperidin-4-yl decanoate, 73lg72m4lv, R-46541, Decanoic acid,4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl ester, Bromperidol decanoate (usan)

Molecular Formula

C₃₁H₄₁BrFNO₃

Molecular Weight

574.6 g/mol

InChI Key

ZINCPWWBSRSXBH-UHFFFAOYSA-N

FDA UNII

73LG72M4LV

1 2D Structure

Bromperidol Decanoate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

[4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] decanoate

2.1.2 InChI

InChI=1S/C31H41BrFNO3/c1-2-3-4-5-6-7-8-11-30(36)37-31(26-14-16-27(32)17-15-26)20-23-34(24-21-31)22-9-10-29(35)25-12-18-28(33)19-13-25/h12-19H,2-11,20-24H2,1H3

2.1.3 InChI Key

ZINCPWWBSRSXBH-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCC(=O)OC1(CCN(CC1)CCCC(=O)C2=CC=C(C=C2)F)C3=CC=C(C=C3)Br

2.2 Other Identifiers

2.2.1 UNII

73LG72M4LV

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-(4-bromophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)-4-piperidinyl Decanoate

2. Impromen Decanoas

2.3.2 Depositor-Supplied Synonyms

1. 75067-66-2

2. 4-(4-bromophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)piperidin-4-yl Decanoate

3. 73lg72m4lv

4. R-46541

5. Decanoic Acid,4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidinyl Ester

6. Bromperidol Decanoate (usan)

7. R-46,541

8. Bromperidol Decanoate [usan]

9. Decanoic Acid, 4-(4-bromophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)-4-piperidinyl Ester

10. Unii-73lg72m4lv

11. Bromperidoldecanoat

12. Bromperidol Decanoate [usan:ban]

13. Einecs 278-065-1

14. [4-(4-bromophenyl)-1-[4-(4-fluorophenyl)-4-oxobutyl]piperidin-4-yl] Decanoate

15. Bromoperidol Decanoate

16. R 46541

17. Schembl121019

18. Chembl2106135

19. Dtxsid30226039

20. Bromperidol Decanoate [mart.]

21. 4-(4-bromophenyl)-1-(4-(4-fluorophenyl)-4-oxobutyl)-4-piperidinyl Decanoate

22. Bromperidol Decanoate [usp-rs]

23. Bromperidol Decanoate [who-dd]

24. 4-(4-(p-bromophenyl)-4-hydroxypiperidinol)-4'-fluorobutyrophenone Decanoate (ester)

25. Bromperidol Decanoate [ep Impurity]

26. Bromperidol Decanoate [ep Monograph]

27. D02626

28. R 46,541

29. Q27266190

30. 4-(4-(p-bromophenyl)-4-hydroxypiperidinol)-4'-fluorobutyrophenone Decanoate

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₃₁H₄₁BrFNO₃
Molecular Weight	574.6 g/mol
XLogP3	7.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	16
Exact Mass	573.22538 g/mol
Monoisotopic Mass	573.22538 g/mol
Topological Polar Surface Area	46.6 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	665
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Antipsychotic Agents

Agents that control agitated psychotic behavior, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. They are used in SCHIZOPHRENIA; senile dementia; transient psychosis following surgery; or MYOCARDIAL INFARCTION; etc. These drugs are often referred to as neuroleptics alluding to the tendency to produce neurological side effects, but not all antipsychotics are likely to produce such effects. Many of these drugs may also be effective against nausea, emesis, and pruritus. (See all compounds classified as Antipsychotic Agents.)

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