≥98% 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Information
Clebopride malate Clebopride is a dopamine antagonist drug and is used to treat functional gastrointestinal disorder such as nausea or vomiting.
| Pubchem Sid | 504753615 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504753615 |
| Canonical Smiles | COC1=CC(=C(C=C1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)Cl)N.C(C(C(=O)[O-])O)C(=O)O |
| IUPAC Name | 4-amino-N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxybenzamide;2,4-dihydroxy-4-oxobutanoate |
| InChIKey | NYNKCGWJPNZJMI-UHFFFAOYSA-N |
| INCHI | 1S/C20H24ClN3O2.C4H6O5/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14;5-2(4(8)9)1-3(6)7/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25);2,5H,1H2,(H,6,7)(H,8,9) |
| Isomeric SMILES | COC1=CC(=C(C=C1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)Cl)N.C(C(C(=O)[O-])O)C(=O)O |
| Molecular Weight | 507.98 |
| Reaxy-Rn | 4101439 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4101439&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 | Organoheterocyclic compounds |
| Class | Piperidines |
| Subclass | Benzylpiperidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | N-benzylpiperidines |
| Alternative Parents | Aminobenzamides 3-halobenzoic acids and derivatives Benzamides Methoxyanilines Aminophenyl ethers Benzoyl derivatives Benzylamines Methoxybenzenes Anisoles Phenoxy compounds Phenylmethylamines Beta hydroxy acids and derivatives Short-chain hydroxy acids and derivatives Aralkylamines Alkyl aryl ethers Chlorobenzenes Fatty acids and conjugates Dicarboxylic acids and derivatives Aryl chlorides Trialkylamines Secondary carboxylic acid amides Secondary alcohols Amino acids and derivatives Carboxylic acids Azacyclic compounds Primary amines Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organochlorides Organopnictogen compounds Carbonyl compounds |
| Molecular Framework | Not available |
| Substituents | N-benzylpiperidine - Aminobenzamide - Aminobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Aminophenyl ether - Benzamide - Methoxyaniline - Benzylamine - Benzoyl - Phenoxy compound - Phenol ether - Phenylmethylamine - Anisole - Aniline or substituted anilines - Methoxybenzene - Halobenzene - Short-chain hydroxy acid - Aralkylamine - Chlorobenzene - Alkyl aryl ether - Beta-hydroxy acid - Dicarboxylic acid or derivatives - Fatty acid - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Hydroxy acid - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Carboxamide group - Amino acid or derivatives - Carboxylic acid - Azacycle - Carboxylic acid derivative - Ether - Alcohol - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom. |
| External Descriptors | Not available |
| Solubility | Solubility (25°C) In vitro DMSO: 100 mg/mL (196.86 mM); Water: 33 mg/mL (64.96 mM); Ethanol: 12 mg/mL (23.62 mM); |
|---|
I2222457