62498-69-5

Basic information

• Product Name: DIDESMETHYL CITALOPRAM-D4
• Synonyms: DIDESMETHYL CITALOPRAM-D4;DIDESMETHYL CITALOPRAM HBR;1-(3-Aminopropyl)-1-(4-fluorophenyl)-1,3-dihydro-5-isobenzofurancarbonitrile;Didesmethylcitalopram;Dinorcitalopram;Lu 11-161;rac Didemethyl Citalopram;rac-Didesmethylcitalopram
• CAS NO: 62498-69-5
• Molecular Formula: C₁₈H₁₇FN₂O
• Molecular Weight: 296.34
• Product Categories: Various Metabolites and Impurities;Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals;Isotope
• Mol File: 62498-69-5.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 433.1 °C at 760 mmHg
• Flash Point: 215.7 °C
• Appearance: /
• Density: 1.24 g/cm³
• Vapor Pressure: 1.05E-07mmHg at 25°C
• Refractive Index: 1.612
• CAS DataBase Reference: DIDESMETHYL CITALOPRAM-D4(CAS DataBase Reference)
• NIST Chemistry Reference: DIDESMETHYL CITALOPRAM-D4(62498-69-5)
• EPA Substance Registry System: DIDESMETHYL CITALOPRAM-D4(62498-69-5)

Safety Data

• Hazardous Substances Data: 62498-69-5(Hazardous Substances Data)

Usage

Chemical Properties

Pale Yellow Thick Oil

Uses

Didesmethyl citalopram-D4 is a metabolite of Citalopram, an inhibitor of serotonin (5-HT) uptake. Used as an antidepressant

InChI:InChI=1/C18H17FN2O/c19-16-5-3-15(4-6-16)18(8-1-9-20)17-7-2-13(11-21)10-14(17)12-22-18/h2-7,10H,1,8-9,12,20H2

Upstream product

• 64169-66-0 5-bromo-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran 
• 64169-67-1 1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile 
• 14753-26-5 3-chloropropan-1-amine 

Downstream Products

• 1348805-33-3 BOC-didesmethylcitalopram 
• 526204-39-7 didesmethylcitalopram L-tartrate 
• 59729-33-8 1-(3-dimethylamino-propyl)-1-(4-fluoro-phenyl)-1,3-dihydro-isobenzofuran-5-carbonitrile 
• 166037-78-1 (+)-Didemethylcitalopram 
• 166037-77-0 (-)-Didemethylcitalopram 
• 392286-28-1 N-{3-[5-Cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl]-1-propyl}glycine ethyl ester 
• 928652-54-4 C₁₈H₁₇FN₂O*C₂₀H₁₈O₈ 
• 928652-45-3 C₁₈H₁₇FN₂O*C₂₀H₁₈O₈ 

Relevant articles and documents

Improved syntheses of N-desmethylcitalopram and N,N-didesmethylcitalopram

An improved and efficient synthesis of N-desmethylcitalopram (2) and N,N-didesmethylcitalopram (3) is presented. The method involved N-demethylation of citalopram (1) using 1-chloroethyl chloroformate to give 2 in 87% yield. Synthesis of 3 was accomplished by alkylation of 8 with 1-(3-bromopropyl)-2,2,5, 5-tetramethyl-1-aza-2,5-disilacyclopentane (9). Copyright Taylor & Francis Group, LLC.

Treatment or prophylaxis of migraine or headache disorders using citalopram, escitalopram or citalopram metabolites

Methods for prophylaxis of or treating or preventing migraine or migraine headaches, or other headache disorders include administering to a subject in need of treatment a therapeutically effective amount of citalopram, escitalopram, or a racemic or optically pure citalopram metabolite, or pharmaceutically acceptable salts, solvates, polymorphs, or hydrates thereof.