Citadiol hydrobromide
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MedKoo CAT#: 412966

CAS#: 103146-26-5 (HBr)

Description: Citadiol hydrobromide is a precursor of Citalopram (C505000), an antidepressant.

Chemical Structure

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Citadiol hydrobromide
CAS# 103146-26-5 (HBr)
Instruction

Theoretical Analysis

MedKoo Cat#: 412966
Name: Citadiol hydrobromide
CAS#: 103146-26-5 (HBr)
Chemical Formula: C20H24BrFN2O2
Exact Mass: 0.00
Molecular Weight: 423.326
Elemental Analysis: C, 56.75; H, 5.71; Br, 18.88; F, 4.49; N, 6.62; O, 7.56

Price and Availability

Size Price Availability Quantity
5g USD 250 2 Weeks
10g USD 450 2 Weeks
25g USD 750 2 Weeks
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Synonym: Citadiol hydrobromide; UNII-5G2RC58G1K

IUPAC/Chemical Name: Benzonitrile, 4-(4-(dimethylamino)-1-(4-fluorophenyl)-1-hydroxybutyl)-3-(hydroxymethyl)-, hydrobromide (1:1)

InChi Key: RVGFHORHCHHPCZ-UHFFFAOYSA-N

InChi Code: InChI=1S/C20H23FN2O2.BrH/c1-23(2)11-3-10-20(25,17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24;/h4-9,12,24-25H,3,10-11,14H2,1-2H3;1H

SMILES Code: N#CC1=CC=C(C(O)(C2=CC=C(F)C=C2)CCCN(C)C)C(CO)=C1.[H]Br

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: >2 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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 423.33 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Soliman SM. Enantiomeric assay of escitalopram S(+)-enantiomer and its "in- process impurities" using two different techniques. Chirality. 2019 Mar;31(3):185-201. doi: 10.1002/chir.23046. Epub 2019 Jan 21. PMID: 30664264.

2: Soliman SM. Validated Densitometric TLC-Method for the Simultaneous Analysis of (R)- and (S)-Citalopram and its Related Substances Using Macrocyclic Antibiotic as a Chiral Selector: Application to the Determination of Enantiomeric Purity of Escitalopram. Int J Biomed Sci. 2012 Mar;8(1):40-50. PMID: 23675256; PMCID: PMC3614854.

3: Sungthong B, Jác P, Scriba GK. Development and validation of a capillary electrophoresis method for the simultaneous determination of impurities of escitalopram including the R-enantiomer. J Pharm Biomed Anal. 2008 Apr 14;46(5):959-65. doi: 10.1016/j.jpba.2007.05.029. Epub 2007 May 29. PMID: 17629435.

4: Nageswara Rao R, Narasa Raju A. Enantiospecific assay of citadiol--a key intermediate of escitalopram by liquid chromatography on Chiralpak AD-H column connected with UV and polarimetric detectors in series. J Pharm Biomed Anal. 2007 Jan 4;43(1):311-4. doi: 10.1016/j.jpba.2006.06.004. Epub 2006 Jul 21. PMID: 16859854.

5: Song C, Tan A. [33 children with cerebral paragonimiasis]. Zhongguo Ji Sheng Chong Xue Yu Ji Sheng Chong Bing Za Zhi. 1999;17(5):320. Chinese. PMID: 12563875.