Haloperidol Lactate

Synopsis, Chemistry

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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

Haloperidol Lactate

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 Formula	C₂₄H₂₉ClFNO₅
Molecular Weight	465.9 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	465.1718289 g/mol
Monoisotopic Mass	465.1718289 g/mol
Topological Polar Surface Area	98.1 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	510
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2