≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships 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.
Product description：
Rupatadine (UR-12592) Fumarate is a potent, orally active and long-lasting dual PAF/H1 antagonist, with Kis of 0.55 μM and 0.1 μM, respectively. Rupatadine Fumarate can be used for the research of allergic rhinitis and urticaria.
| Pubchem Sid | 488195798 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488195798 |
| Canonical Smiles | CC1=CC(=CN=C1)CN2CCC(=C3C4=C(CCC5=C3N=CC=C5)C=C(C=C4)Cl)CC2.C(=CC(=O)O)C(=O)O |
| IUPAC Name | (E)-but-2-enedioic acid;13-chloro-2-[1-[(5-methylpyridin-3-yl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene |
| InChIKey | JYBLCDXVHQWMSU-WLHGVMLRSA-N |
| INCHI | 1S/C26H26ClN3.C4H4O4/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25;5-3(6)1-2-4(7)8/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+ |
| Isomeric SMILES | CC1=CC(=CN=C1)CN2CCC(=C3C4=C(CCC5=C3N=CC=C5)C=C(C=C4)Cl)CC2.C(=C/C(=O)O)\C(=O)O |
| PubChem CID | 6449107 |
| Molecular Weight | 532.03 |
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 | Organoheterocyclic compounds |
| Class | Benzocycloheptapyridines |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzocycloheptapyridines |
| Alternative Parents | Methylpyridines Aralkylamines Unsaturated fatty acids Piperidines Dicarboxylic acids and derivatives Benzenoids Aryl chlorides Heteroaromatic compounds Trialkylamines Carboxylic acids Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | Benzocycloheptapyridine - Aralkylamine - Methylpyridine - Aryl chloride - Aryl halide - Dicarboxylic acid or derivatives - Piperidine - Pyridine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organic oxide - Organochloride - Organohalogen compound - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzocycloheptapyridines. These are aromatic compounds containing a benzene ring and a pyridine ring fused to a seven membered carbocycle. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 C2505245 | Certificate of Analysis | Mar 15, 2025 | R129256 |
| C23071096 | Certificate of Analysis | Dec 19, 2024 | R129256 |
| C23071082 | Certificate of Analysis | Dec 19, 2024 | R129256 |
| C23071048 | Certificate of Analysis | Dec 19, 2024 | R129256 |
| C23071041 | Certificate of Analysis | Dec 19, 2024 | R129256 |
| C23071036 | Certificate of Analysis | Dec 19, 2024 | R129256 |
| C23071035 | Certificate of Analysis | Dec 19, 2024 | R129256 |
| C23071026 | Certificate of Analysis | Dec 19, 2024 | R129256 |
| C23071023 | Certificate of Analysis | Dec 19, 2024 | R129256 |
| C23071022 | Certificate of Analysis | Dec 19, 2024 | R129256 |
| C23071019 | Certificate of Analysis | Dec 19, 2024 | R129256 |
| Solubility | ≥ 11.75mg/mL in DMSO, ≥ 12.55mg/mL in Ethanol with gentle warming |
|---|---|
| Sensitivity | Moisture sensitive |
| Molecular Weight | 532.000 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 4 |
| Exact Mass | 531.192 Da |
| Monoisotopic Mass | 531.192 Da |
| Topological Polar Surface Area | 104.000 Ų |
| Heavy Atom Count | 38 |
| Formal Charge | 0 |
| Complexity | 728.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 2 |
