Stable isotope-labeled compounds are used as environmental pollutant standards for the detection of air, water, soil, sediment and food.
In addition to treating various diseases, isotopes are used for imaging, diagnosis, and newborn screening.
Small molecule compounds labeled with stable isotopes can be used as chemical reference for chemical identification, qualitative, quantitative, detection, etc. Various types of NMR solvents can be used to study the structure, reaction mechanism and reaction kinetics of compounds.
Stable isotope labeling allows researchers to study metabolic pathways in vivo in a safe manner.
General Information |
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Catalog: BLP-011561 |
CAS: 1246819-94-2 |
Molecular Formula: C20H15D6FN2O.C2H2O4 |
Molecular Weight: 420.46 |
Chemical Structure |
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Description | Citalopram-[d6] Oxalate is the labelled salt of Citalopram. Citalopram is an antidepressant of the selective serotonin reuptake inhibitor class. It is used to treat major depressive disorder, obsessive compulsive disorder, panic disorder, and social phobia. |
Synonyms | Citalopram oxalate D6; 1-[3-(Dimethylamino-d6)propyl]-1-(4-fluorophenyl)-1,3-dizohydro-5-isobenzofurancarbonitrile Oxalate Salt; Citalopram-d6 Oxalate; Nitalapram-d6 Oxalate; Celexa-d6 Oxalate; Cipram-d6 Oxalate; Bonitrile-d6 Oxalate |
IUPAC Name | 1-[3-[bis(trideuteriomethyl)amino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;oxalic acid |
Related CAS | 207559-01-1 (unlabelled) 59729-33-8 (unlabelled free base) 219861-08-2 (unlabelled S-isomer) 219861-53-7 (unlabelled R-isomer) |
Canonical SMILES | CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.C(=O)(C(=O)O)O |
InChI | InChI=1S/C20H21FN2O.C2H2O4/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;3-1(4)2(5)6/h4-9,12H,3,10-11,14H2,1-2H3;(H,3,4)(H,5,6)/i1D3,2D3; |
InChI Key | KTGRHKOEFSJQNS-TXHXQZCNSA-N |
Melting Point | 161-164°C |
Purity | 95% by HPLC; 98% atom D |
Solubility | Soluble in Methanol (Slightly) |
Appearance | White Solid |
Storage | Store at 2-8°C |
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