MedKoo Cat#: 412966 | Name: Citadiol hydrobromide
Featured

Description:

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

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

Chemical Structure

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

Theoretical Analysis

MedKoo Cat#: 412966

Name: Citadiol hydrobromide

CAS#: 103146-26-5 (HBr)

Chemical Formula: C20H24BrFN2O2

Exact Mass: 0.0000

Molecular Weight: 423.33

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 250.00 2 Weeks
10g USD 450.00 2 Weeks
25g USD 750.00 2 Weeks
Bulk Inquiry
Buy Now
Add to Cart
Related CAS #
No Data
Synonym
Citadiol hydrobromide; Citadiol HBr; 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

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
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.