Please Wait
Applying Filters...
Menu
Xls
2D Structure
Also known as: Haloperidol intensol, 53515-91-6, Haloperidol (lactate), Haloperidol lactate [orange book], 6387s86pk3, Haldol (tn)
Molecular Formula
C24H29ClFNO5
Molecular Weight
465.9  g/mol
InChI Key
BVUSNQJCSYDJJG-UHFFFAOYSA-N
FDA UNII
6387S86PK3

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;2-hydroxypropanoic acid
2.1.2 InChI
InChI=1S/C21H23ClFNO2.C3H6O3/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16;1-2(4)3(5)6/h3-10,26H,1-2,11-15H2;2,4H,1H3,(H,5,6)
2.1.3 InChI Key
BVUSNQJCSYDJJG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C(=O)O)O.C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F
2.2 Other Identifiers
2.2.1 UNII
6387S86PK3
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Haloperidol Intensol

2. 53515-91-6

3. Haloperidol (lactate)

4. Haloperidol Lactate [orange Book]

5. 6387s86pk3

6. Haldol (tn)

7. 1-butanone, 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-, 2-hydroxypropanoate (salt)

8. Propanoic Acid, 2-hydroxy-, Compd. With 4-(4-(4-chlorophenyl)-4-hydroxy-1-piperidinyl)-1-(4-fluorophenyl)-1-butanone (1:1)

9. 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-1-(4-fluorophenyl)butan-1-one;2-hydroxypropanoic Acid

10. Haloperidol Lactate (salt)

11. Unii-6387s86pk3

12. Schembl42239

13. Chembl4297147

14. Dtxsid801026594

15. Haloperidol Lactate [vandf]

16. (+/-)-haloperidol Lactate

17. Haloperidol Lactate [who-dd]

18. Hy-14538b

19. Haloperidol Lactate, (+/-)-

20. Cs-0030964

21. D08035

22. Q27263580

2.4 Create Date
2007-05-07
3 Chemical and Physical Properties
Molecular Weight 465.9 g/mol
Molecular Formula C24H29ClFNO5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass465.1718289 g/mol
Monoisotopic Mass465.1718289 g/mol
Topological Polar Surface Area98.1 Ų
Heavy Atom Count32
Formal Charge0
Complexity510
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 FDA Pharmacological Classification
4.1.1 Pharmacological Classes
Typical Antipsychotic [EPC]