Desmethylcitalopram HCl | active metabolite of citalopram | CAS#97743-99-2

MedKoo Cat#: 128130 | Name: Desmethylcitalopram HCl

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Description:

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

Desmethylcitalopram (hydrochloride) is a certified reference material categorized as an antidepressant. Desmethylcitalopram is an active metabolite of citalopram.

Chemical Structure

Desmethylcitalopram HCl

CAS#97743-99-2 (HCl)

Theoretical Analysis

MedKoo Cat#: 128130

Name: Desmethylcitalopram HCl

CAS#: 97743-99-2 (HCl)

Chemical Formula: C19H20ClFN2O

Exact Mass: 0.0000

Molecular Weight: 346.83

Elemental Analysis: C, 65.80; H, 5.81; Cl, 10.22; F, 5.48; N, 8.08; O, 4.61

Price and Availability

Size	Price	Availability	Quantity
1mg	USD 450.00	2 Weeks

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Related CAS #

62498-67-3 (free base) 97743-99-2 (HCl)

Synonym

Desmethylcitalopram (hydrochloride); Desmethylcitalopram; Desmethylcitalopram HCl; Desmethylcitalopram (HCl); N-desmethyl Citalopram

IUPAC/Chemical Name

1-(4-fluorophenyl)-1-(3-(methylamino)propyl)-1,3-dihydroisobenzofuran-5-carbonitrile hydrochloride

InChi Key

DYIZNULSIBGJPJ-UHFFFAOYSA-N

InChi Code

InChI=1S/C19H19FN2O.ClH/c1-22-10-2-9-19(16-4-6-17(20)7-5-16)18-8-3-14(12-21)11-15(18)13-23-19;/h3-8,11,22H,2,9-10,13H2,1H3;1H

SMILES Code

CNCCCC1(C2=CC=C(F)C=C2)OCC3=CC(C#N)=CC=C31.Cl

Appearance

To be determined

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

To be determined

Shelf Life

>2 years if stored properly

Drug Formulation

To be determined

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 346.83 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.

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: Ozbey G, Yucel B, Bodur NE, Taycan SE, Arslan T, Cerit N, Yuksel N, Guzey IC, Uluoglu C. Serum N-Desmethylcitalopram Concentrations are Associated with the Clinical Response to Citalopram of Patients with Major Depression. Psychiatry Investig. 2018 Mar;15(3):313-319. doi: 10.30773/pi.2017.05.22. Epub 2018 Feb 22. PMID: 29475241; PMCID: PMC5900378. 2: von Moltke LL, Greenblatt DJ, Grassi JM, Granda BW, Venkatakrishnan K, Duan SX, Fogelman SM, Harmatz JS, Shader RI. Citalopram and desmethylcitalopram in vitro: human cytochromes mediating transformation, and cytochrome inhibitory effects. Biol Psychiatry. 1999 Sep 15;46(6):839-49. doi: 10.1016/s0006-3223(98)00353-9. PMID: 10494454. 3: Akil A, Bies RR, Pollock BG, Avramopoulos D, Devanand DP, Mintzer JE, Porsteinsson AP, Schneider LS, Weintraub D, Yesavage J, Shade DM, Lyketsos CG. A population pharmacokinetic model for R- and S-citalopram and desmethylcitalopram in Alzheimer's disease patients with agitation. J Pharmacokinet Pharmacodyn. 2016 Feb;43(1):99-109. doi: 10.1007/s10928-015-9457-6. Epub 2015 Nov 26. PMID: 26611790; PMCID: PMC4720707. 4: Dziurkowska E, Wesolowski M. Simultaneous Quantification of Citalopram and its Main Metabolite, Desmethylcitalopram, in Human Saliva by UHPLC. Curr Anal Chem. 2018 Dec;14(6):554-561. doi: 10.2174/1573411013666171113144352. PMID: 30581377; PMCID: PMC6249691. 5: Weisskopf E, Panchaud A, Nguyen KA, Grosjean D, Hascoët JM, Csajka C, Eap CB, Ansermot N; collaborators of the SSRI-Breast Milk study. Stereoselective determination of citalopram and desmethylcitalopram in human plasma and breast milk by liquid chromatography tandem mass spectrometry. J Pharm Biomed Anal. 2016 Nov 30;131:233-245. doi: 10.1016/j.jpba.2016.08.014. Epub 2016 Aug 20. PMID: 27606925. 6: Pufal E, Sykutera M, Nowacka T, Stefanowicz A, Sliwka K. Opracowanie metody oznaczania citalopramu i desmetylocitalopramu w paznokciach i włosach i jej wykorzystanie w toksykologii sadowej [Development of a method for estimation of citalopram and desmethylcitalopram in nails and hair and its usefulness in forensic toxicology]. Arch Med Sadowej Kryminol. 2010 Oct-Dec;60(4):216-22. Polish. PMID: 21863728. 7: Jensen PN, Olesen OV, Bertelsen A, Linnet K. Citalopram and desmethylcitalopram concentrations in breast milk and in serum of mother and infant. Ther Drug Monit. 1997 Apr;19(2):236-9. doi: 10.1097/00007691-199704000-00021. PMID: 9108657. 8: Akerman KK, Jolkkonen J, Huttunen H, Penttilä I. High-performance liquid chromatography method for analyzing citalopram and desmethylcitalopram from human serum. Ther Drug Monit. 1998 Feb;20(1):25-9. doi: 10.1097/00007691-199802000-00005. PMID: 9485550. 9: Andersen S, Halvorsen TG, Pedersen-Bjergaard S, Rasmussen KE, Tanum L, Refsum H. Stereospecific determination of citalopram and desmethylcitalopram by capillary electrophoresis and liquid-phase microextraction. J Pharm Biomed Anal. 2003 Sep 19;33(2):263-73. doi: 10.1016/s0731-7085(03)00264-4. PMID: 12972091. 10: de Mendonça Lima CA, Baumann P, Brawand-Amey M, Brogli C, Jacquet S, Cochard N, Powell-Golay K, Eap CB. Effect of age and gender on citalopram and desmethylcitalopram steady-state plasma concentrations in adults and elderly depressed patients. Prog Neuropsychopharmacol Biol Psychiatry. 2005 Jul;29(6):952-6. doi: 10.1016/j.pnpbp.2005.06.001. PMID: 16006029. 11: Olesen OV, Linnet K. Simplified high-performance liquid chromatographic method for the determination of citalopram and desmethylcitalopram in serum without interference from commonly used psychotropic drugs and their metabolites. J Chromatogr B Biomed Appl. 1996 Jan 12;675(1):83-8. doi: 10.1016/0378-4347(95)00347-9. PMID: 8634772. 12: Meng QH, Gauthier D. Simultaneous analysis of citalopram and desmethylcitalopram by liquid chromatography with fluorescence detection after solid-phase extraction. Clin Biochem. 2005 Mar;38(3):282-5. doi: 10.1016/j.clinbiochem.2004.12.009. PMID: 15708552. 13: Linnet K, Olesen OV. Citalopram og desmetylcitalopram hos psykiatriske patienter [Citalopram and desmethylcitalopram for psychiatric patients]. Ugeskr Laeger. 1996 Aug 26;158(35):4920-3. Danish. PMID: 8801700.