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MedKoo Cat#: 582041 | Name: Dechlorohaloperidol

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Dechlorohaloperidol is also known as Haloperidol impurity B.

Chemical Structure

Dechlorohaloperidol
Dechlorohaloperidol
CAS#3109-12-4

Theoretical Analysis

MedKoo Cat#: 582041

Name: Dechlorohaloperidol

CAS#: 3109-12-4

Chemical Formula: C21H24FNO2

Exact Mass: 341.1800

Molecular Weight: 341.43

Elemental Analysis: C, 73.88; H, 7.09; F, 5.56; N, 4.10; O, 9.37

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Synonym
Dechlorohaloperidol; Dechloro Haloperidol; Deschlorohaloperidol
IUPAC/Chemical Name
Butyrophenone, 4'-fluoro-4-(4-hydroxy-4-phenylpiperidino)-
InChi Key
FEFFZKPQSVTBAY-UHFFFAOYSA-N
InChi Code
InChI=1S/C21H24FNO2/c22-19-10-8-17(9-11-19)20(24)7-4-14-23-15-12-21(25,13-16-23)18-5-2-1-3-6-18/h1-3,5-6,8-11,25H,4,7,12-16H2
SMILES Code
O=C(C1=CC=C(F)C=C1)CCCN2CCC(C3=CC=CC=C3)(O)CC2
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 341.43 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Chen CA, Jiang Y, Lu K, Daniewska I, Mazza CG, Negron L, Forray C, Parola T, Li B, Hegde LG, Wolinsky TD, Craig DA, Kong R, Wetzel JM, Andersen K, Marzabadi MR. Synthesis and SAR investigations for novel melanin-concentrating hormone 1 receptor (MCH1) antagonists part 2: A hybrid strategy combining key fragments of HTS hits. J Med Chem. 2007 Aug 9;50(16):3883-90. PubMed PMID: 17668922. 2: Hashizume K, Tamakawa H, Hashimoto N, Miyake Y. Single-step synthesis of [18F]haloperidol from the chloro-precursor and its applications in PET imaging of a cat's brain. Appl Radiat Isot. 1997 Sep;48(9):1179-85. PubMed PMID: 9418209. 3: Hoja H, Marquet P, Verneuil B, Lotfi H, Dupuy JL, Pénicaut B, Lachâtre G. Determination of haloperidol and its reduced metabolite in human plasma by liquid chromatography-mass spectrometry with electrospray ionization. J Chromatogr B Biomed Sci Appl. 1997 Jan 24;688(2):275-80. PubMed PMID: 9061465. 4: Hoffman DW, Edkins RD. Solid-phase extraction and high-performance liquid chromatography for therapeutic monitoring of haloperidol levels. Ther Drug Monit. 1994 Oct;16(5):504-8. PubMed PMID: 7846750. 5: Pommery J, Foulon O, Morineau G, Lhermitte M, Levron JC, Erb F. Determination of haloperidol and hydroxy haloperidol in human plasma by high performance liquid chromatography. Ann Biol Clin (Paris). 1990;48(7):455-8. PubMed PMID: 2278409. 6: Sagara Y, Okatani Y, Yamanaka S, Kiriyama T. Determination of plasma 5-hydroxytryptophan, 5-hydroxytryptamine, 5-hydroxyindoleacetic acid, tryptophan and melatonin by high-performance liquid chromatography with electrochemical detection. J Chromatogr. 1988 Sep 23;431(1):170-6. PubMed PMID: 2466859. 7: Eddington ND, Young D. Sensitive electrochemical high-performance liquid chromatography assay for the simultaneous determination of haloperidol and reduced haloperidol. J Pharm Sci. 1988 Jun;77(6):541-3. PubMed PMID: 3171937. 8: Miller RL, DeVane CL. Measurement of haloperidol and reduced haloperidol in human plasma using reversed-phase high-performance liquid chromatography. J Chromatogr. 1986 Jan 24;374(2):405-8. PubMed PMID: 3958099. 9: Hequet D, Jarry C, Rouquette C, Brachet-Liermain A. [Plasma assay of haloperidol by high performance liquid chromatography]. Ann Biol Clin (Paris). 1985;43(5):739-42. French. PubMed PMID: 4091320. 10: Abernethy DR, Greenblatt DJ, Ochs HR, Willis CR, Miller DD, Shader RI. Haloperidol determination in serum and cerebrospinal fluid using gas--liquid chromatography with nitrogen--phosphorus detection: application to pharmacokinetic studies. J Chromatogr. 1984 Apr 13;307(1):194-9. PubMed PMID: 6725485. 11: Korpi ER, Kleinman JE, Costakos DT, Linnoila M, Wyatt RJ. Reduced haloperidol in the post-mortem brains of haloperidol-treated patients. Psychiatry Res. 1984 Mar;11(3):259-69. PubMed PMID: 6587418. 12: Korpi ER, Phelps BH, Granger H, Chang WH, Linnoila M, Meek JL, Wyatt RJ. Simultaneous determination of haloperidol and its reduced metabolite in serum and plasma by isocratic liquid chromatography with electrochemical detection. Clin Chem. 1983 Apr;29(4):624-8. PubMed PMID: 6831688. 13: Kogan MJ, Pierson D, Verebey K. Quantitative determination of haloperidol in human plasma by high-performance liquid chromatography. Ther Drug Monit. 1983;5(4):485-9. PubMed PMID: 6659018.