Clebopride malate - ≥98% , CAS No.57645-91-7

CAS: 57645-91-7 Cat. No.: C413462 Fórmula: C₂₄H₃₀ClN₃O₇ Peso molecular: 507.98

GRADE & PURITY ≥98%

Synonyms

Clebopride malate [JAN] | 4-Amino-5-chloro-2-methoxy-N-(1-benzyl-4-piperidyl)benzamide malate | 4-amino-N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxybenzamide;2,4-dihydroxy-4-oxobutanoate | H10287 | A917607 | AKOS027328050 | BENZAMIDE, 4-AMINO-5-CHL

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Information

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

Specifications

Sinónimos

Clebopride malate [JAN] | 4-Amino-5-chloro-2-methoxy-N-(1-benzyl-4-piperidyl)benzamide malate | 4-amino-N-(1-benzylpiperidin-1-ium-4-yl)-5-chloro-2-methoxybenzamide;2,4-dihydroxy-4-oxobutanoate | H10287 | A917607 | AKOS027328050 | BENZAMIDE, 4-AMINO-5-CHL

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

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

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Pureza

≥98%

Nomes e identificadores

• Pubchem Sid: 504753615
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753615
• Sorrisos canónicos: 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)
• SMILES isoméricas: COC1=CC(=C(C=C1C(=O)NC2CC[NH+](CC2)CC3=CC=CC=C3)Cl)N.C(C(C(=O)[O-])O)C(=O)O
• Peso molecular: 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
    • Classe Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• Solubilidade: 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)