≥98 atom% D,≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Citalopram-d6 is a deuterium-labeled analog of Citalopram . Citalopram is a selective inhibitor of the 5-hydroxytryptamine transporter (serotonin) and therefore is a potent and selective serotonin reuptake inhibitor. Additional studies indicate that Citalopram may be a weak, allosteric modulator of serotonin in a cross-species chimeric study. Studies also indicate that Citalopram is useful for studying gene expression patterns in circulating lymphocytes. In zebrafish, Citalopram is noted to reduce the frequency of NMDA-induced locomotor rhythm involved in swimming behavor.
| Pubchem Sid | 504770509 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504770509 |
| Canonical Smiles | CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F |
| IUPAC Name | 1-[3-[bis(trideuteriomethyl)amino]propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile |
| InChIKey | WSEQXVZVJXJVFP-WFGJKAKNSA-N |
| INCHI | 1S/C20H21FN2O/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/h4-9,12H,3,10-11,14H2,1-2H3/i1D3,2D3 |
| Isomeric SMILES | [2H]C([2H])([2H])N(CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F)C([2H])([2H])[2H] |
| Alternate CAS | 59729-33-8(unlabelled) |
| Molecular Weight | 330.43 |
| Reaxy-Rn | 1397373 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1397373&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Phenylbutylamines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylbutylamines |
| Alternative Parents | Isocoumarans Fluorobenzenes Aralkylamines Aryl fluorides Trialkylamines Oxacyclic compounds Nitriles Dialkyl ethers Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylbutylamine - Isocoumaran - Fluorobenzene - Halobenzene - Aralkylamine - Aryl halide - Aryl fluoride - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Dialkyl ether - Ether - Carbonitrile - Nitrile - Organoheterocyclic compound - Organic oxygen compound - Cyanide - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine. |
| External Descriptors | Not available |
| Solubility | Soluble in Methanol and Water,Acetonitrile (Slightly), Aqueous Acid (Slightly), Chloroform (Slightly), Methano |
|---|---|
| Melt Point(°C) | 82-85° C |
| Molecular Weight | 330.400 g/mol |
| XLogP3 | 3.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 5 |
| Exact Mass | 330.201 Da |
| Monoisotopic Mass | 330.201 Da |
| Topological Polar Surface Area | 36.300 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 466.000 |
| Isotope Atom Count | 6 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
H2325335