≥98%(HPLC) 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.
Eplivanserin (SR-46349) hemifumarate is a potent, selective and orally active 5-HT2A receptor antagonist, with an IC50 of 5.8 nM in rat cortical membrane, and a Kd of 1.14 nM. Eplivanserin hemifumarate displays >20-fold selectivity more selective for 5-HT2A than 5-HT2B and 5-HT2C.
| Canonical Smiles | CN(C)CCON=C(C=CC1=CC=C(C=C1)O)C2=CC=CC=C2F.CN(C)CCON=C(C=CC1=CC=C(C=C1)O)C2=CC=CC=C2F.C(=CC(=O)O)C(=O)O |
|---|---|
| IUPAC Name | (E)-but-2-enedioic acid;4-[(E,3Z)-3-[2-(dimethylamino)ethoxyimino]-3-(2-fluorophenyl)prop-1-enyl]phenol |
| InChIKey | RNLKLYQQDLHHBH-ABDBJYMXSA-N |
| INCHI | 1S/2C19H21FN2O2.C4H4O4/c2*1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15;5-3(6)1-2-4(7)8/h2*3-12,23H,13-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b2*12-9+,21-19-;2-1+ |
| Isomeric SMILES | CN(CCO/N=C(\C1=CC=CC=C1F)/C=C/C2=CC=C(C=C2)O)C.CN(CCO/N=C(\C1=CC=CC=C1F)/C=C/C2=CC=C(C=C2)O)C.C(=C/C(=O)O)\C(=O)O |
| WGK Germany | 2 |
| PubChem CID | 135456189 |
| Molecular Weight | 386.42 |
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 | Cinnamylphenols |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Cinnamylphenols |
| Alternative Parents | Styrenes Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Unsaturated fatty acids Dicarboxylic acids and derivatives Aryl fluorides Trialkylamines Carboxylic acids Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | Cinnamylphenol - Styrene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty acyl - Fatty acid - Benzenoid - Unsaturated fatty acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cinnamylphenols. These are organic compounds containing the 1,3-diphenylpropene moiety with one benzene ring bearing one or more hydroxyl groups. |
| External Descriptors | Not available |
| Solubility | Solvent:DMSO, Max Conc. mg/mL: 19.32, Max Conc. mM: 50 |
|---|---|
| Sensitivity | Moisture sensitive |
| Molecular Weight | 772.800 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 16 |
| Exact Mass | 772.328 Da |
| Monoisotopic Mass | 772.328 Da |
| Topological Polar Surface Area | 165.000 Ų |
| Heavy Atom Count | 56 |
| Formal Charge | 0 |
| Complexity | 537.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 5 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 5 |
| Covalently-Bonded Unit Count | 3 |
