for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
Flecainide-d3 is an anti-arrhythmic labeled Flecainide. Flecainide is an inhibitor of the cardiac ryanodine receptor (RyR-2) and blocker of the Nav1.5 sodium channel with antiarrhythmic properties.
| Canonical Smiles | C1CCNC(C1)CNC(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F |
|---|---|
| IUPAC Name | 2,4,5-trideuterio-N-(piperidin-2-ylmethyl)-3,6-bis(2,2,2-trifluoroethoxy)benzamide |
| InChIKey | DJBNUMBKLMJRSA-JZLVSFENSA-N |
| INCHI | 1S/C17H20F6N2O3/c18-16(19,20)9-27-12-4-5-14(28-10-17(21,22)23)13(7-12)15(26)25-8-11-3-1-2-6-24-11/h4-5,7,11,24H,1-3,6,8-10H2,(H,25,26)/i4D,5D,7D |
| Isomeric SMILES | [2H]C1=C(C(=C(C(=C1OCC(F)(F)F)[2H])C(=O)NCC2CCCCN2)OCC(F)(F)F)[2H] |
| Molecular Weight | 417.36 |
| Reaxy-Rn | 500093 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=500093&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 | Benzoic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzamides |
| Alternative Parents | Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers Piperidines Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzamide - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Piperidine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Alkyl fluoride - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Alkyl halide - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring. |
| External Descriptors | Not available |
| Solubility | Soluble in Methanol |
|---|---|
| Melt Point(°C) | 92-93°C (lit.) |
| Molecular Weight | 417.360 g/mol |
| XLogP3 | 3.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 7 |
| Exact Mass | 417.157 Da |
| Monoisotopic Mass | 417.157 Da |
| Topological Polar Surface Area | 59.600 Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 500.000 |
| Isotope Atom Count | 3 |
| 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 |
