Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C 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 6 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
Propafenone (SA-79) is an active sodium channel blocking agent and a beta-adrenoceptor (β-adrenergic receptor) antagonist. Propafenone offers a broad spectrum of activity in the treatment of cardiac arrhythmias.
Targets
sodium channel ; β-adrenergic receptor
| Pubchem Sid | 504750834 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504750834 |
| Canonical Smiles | CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O |
| IUPAC Name | 1-[2-[2-hydroxy-3-(propylamino)propoxy]phenyl]-3-phenylpropan-1-one |
| InChIKey | JWHAUXFOSRPERK-UHFFFAOYSA-N |
| INCHI | 1S/C21H27NO3/c1-2-14-22-15-18(23)16-25-21-11-7-6-10-19(21)20(24)13-12-17-8-4-3-5-9-17/h3-11,18,22-23H,2,12-16H2,1H3 |
| Isomeric SMILES | CCCNCC(COC1=CC=CC=C1C(=O)CCC2=CC=CC=C2)O |
| PubChem CID | 4932 |
| Molecular Weight | 341.44 |
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 | Phenylpropanoids and polyketides |
| Class | Linear 1,3-diarylpropanoids |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Linear 1,3-diarylpropanoids |
| Alternative Parents | Alkyl-phenylketones Butyrophenones Phenoxy compounds Phenol ethers Benzoyl derivatives Aryl alkyl ketones Alkyl aryl ethers Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Linear 1,3-diarylpropanoid - Alkyl-phenylketone - Butyrophenone - Phenylketone - Benzoyl - Phenol ether - Phenoxy compound - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - 1,2-aminoalcohol - Secondary alcohol - Ketone - Secondary amine - Secondary aliphatic amine - Ether - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organopnictogen compound - Alcohol - Hydrocarbon derivative - Amine - Organic oxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as linear 1,3-diarylpropanoids. These are organic compounds with a structure based on a C6-C3-C6 skeleton, where the two benzene rings are not linked together. |
| External Descriptors | secondary alcohol - secondary amino compound - aromatic ketone |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Jun 11, 2026 | P413331 | |
| Certificate of Analysis | Jun 09, 2026 | P413331 | |
| Certificate of Analysis | Jun 09, 2026 | P413331 | |
| Certificate of Analysis | Mar 18, 2025 | P413331 | |
| Certificate of Analysis | Oct 17, 2024 | P413331 | |
| Certificate of Analysis | Oct 17, 2024 | P413331 |
| Solubility | Solubility (25°C) In vitro DMSO: 68 mg/mL (199.15 mM); Ethanol: 41 mg/mL (120.07 mM); Water: Insoluble; |
|---|---|
| Molecular Weight | 341.400 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 11 |
| Exact Mass | 341.199 Da |
| Monoisotopic Mass | 341.199 Da |
| Topological Polar Surface Area | 58.600 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 368.000 |
| Isotope Atom Count | 0 |
| 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 |
| 1. Wang Yiran, Shi Jihua, Dai Dapeng, Cai Jianping, Wang Shuanghu, Hong Yun, Zhou Shan, Zhao Fangling, Zhou Quan, Geng Peiwu, Zhou Yunfang, Xu Xue, Luo Qingfeng. (2022) Evaluation of commonly used cardiovascular drugs in inhibiting vonoprazan metabolism in vitro and in vivo. Frontiers in Pharmacology, [PMID:36052128] [10.3389/fphar.2022.909168] |
| 2. Lanteng Wang, Jin Wang, Ang Zhang, Xin-an Huang, Hongtao Lei. (2021) Two binding epitopes modulating specificity of immunoassay for β-agonist detection: Quantitative structure–activity relationship. FOOD CHEMISTRY, [PMID:34537613] [10.1016/j.foodchem.2021.131071] |
| 3. Xue Ren, Man He, Beibei Chen, Bin Hu. (2019) Magnetic porous organic polymers for extraction of cardiovascular drugs in human urine samples followed by HPLC-UV. Analytical Methods, 12 (2): (141-148). [PMID:] [10.1039/C9AY02041A] |
| 4. Wenying Fan, Man He, Linna You, Xuewei Zhu, Beibei Chen, Bin Hu. (2016) Water-compatible graphene oxide/molecularly imprinted polymer coated stir bar sorptive extraction of propranolol from urine samples followed by high performance liquid chromatography-ultraviolet detection. JOURNAL OF CHROMATOGRAPHY A, [PMID:26993782] [10.1016/j.chroma.2016.03.017] |
| 5. Chang Di, Tong Wu, Kai Gao, Na Li, Huifang Song, Lili Wang, Haojie Sun, Jingyun Yi, Xinran Zhang, Jiexin Chen, Mala Shah, Yuwu Jiang, Zhuo Huang. (2024) Carvedilol inhibits neuronal hyperexcitability caused by epilepsy-associated KCNT1 mutations. BRITISH JOURNAL OF PHARMACOLOGY, [PMID:39370580] [10.1111/bph.17360] |
| 6. Xiao Li, Xuanwei Li, Caixia Yan, Yaokun Xia, Keke Huang, Jia Chen. (2026) Hollow fiber liquid-phase microextraction based on restricted-access alkyl carboxylic acid–hexafluoroisopropanol supramolecular solvent for the determination of antiarrhythmic drugs in human plasma. MICROCHEMICAL JOURNAL, [PMID:] [10.1016/j.microc.2026.118319] |
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