Clebopride malate - 10mM in DMSO , CAS No.57645-91-7

CAS: 57645-91-7 Cat. No.: C424851 Formula: C₂₄H₃₀ClN₃O₇ Molecular Weight: 507.98

GRADE & PURITY 10mM in DMSO

Synonyms

clebopride malate|57645-91-7|Clebopride hydrogen malate|Clebopride malate [JAN]|4-amino-N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxybenzamide;2,4-dihydroxy-4-oxobutanoate|4-Amino-5-chloro-2-methoxy-N-(1-benzyl-4-piperidyl)benzamide malate|BENZAMIDE

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

Clebopride malate Clebopride is a dopamine antagonist drug and is used to treat functional gastrointestinal disorder such as nausea or vomiting.

Specifications

Synonyms

clebopride malate | 57645-91-7 | Clebopride hydrogen malate | Clebopride malate [JAN] | 4-amino-N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxybenzamide;2,4-dihydroxy-4-oxobutanoate | 4-Amino-5-chloro-2-methoxy-N-(1-benzyl-4-piperidyl)benzamide malate | BENZAMIDE

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Clebopride is a dopamine antagonist drug and is used to treat functional gastrointestinal disorder such as nausea or vomiting.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Names and Identifiers

Pubchem Sid

528776582

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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Piperidines
      • Subclass Benzylpiperidines

• 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

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y