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

COA

Grade & Purity:

10mM in DMSO

Cas Number: 57645-91-7
Molecular Weight: 507.98
PubChem CID: 42503

In stock

Item Number

C424851

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SKU	Size	Availability	Price	Qty
C424851-1ml	1ml	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$79.90

Dopamine Receptor Antagonists

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Class A GPCR (4138) Compound libraries (12325)

Basic Description

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 Temp	Store at -80°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information Clebopride malate Clebopride is a dopamine antagonist drug and is used to treat functional gastrointestinal disorder such as nausea or vomiting.

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
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

Names and Identifiers

IUPAC Name	4-amino-N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxybenzamide;2,4-dihydroxy-4-oxobutanoate
INCHI	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)
InChIKey	NYNKCGWJPNZJMI-UHFFFAOYSA-N
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
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=

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