Sultopride hydrochloride - ≥98% , CAS No.23694-17-9

CAS: 23694-17-9 Cat. No.: S333293 Molecular Weight: 390.93 EC Number: 245-829-0 PubChem CID: 3082221

GRADE & PURITY ≥98%

Synonyms

N-((1-Ethylpyrrolidin-2-yl)methyl)-5-(ethylsulfonyl)-2-methoxybenzamide hydrochloride | N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulphonyl)-2-methoxybenzamide hydrochloride | 8Q6926T32J | Sultopride monohydrochloride | UNII-8Q6926T32J | O-ANISAMIDE, N-(

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Sultopride hydrochloride is a D2DR (dopamine D2-receptor) antagonist and an anti-psychotic.

Specifications

Synonyms

N-((1-Ethylpyrrolidin-2-yl)methyl)-5-(ethylsulfonyl)-2-methoxybenzamide hydrochloride | N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulphonyl)-2-methoxybenzamide hydrochloride | 8Q6926T32J | Sultopride monohydrochloride | UNII-8Q6926T32J | O-ANISAMIDE, N-(

Specifications & Purity

≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC.Cl
• IUPAC Name: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-ethylsulfonyl-2-methoxybenzamide;hydrochloride
• InChIKey: IGOWMQPOGQYFFM-UHFFFAOYSA-N
• INCHI: 1S/C17H26N2O4S.ClH/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3;/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20);1H
• Isomeric SMILES: CCN1CCCC1CNC(=O)C2=C(C=CC(=C2)S(=O)(=O)CC)OC.Cl
• PubChem CID: 3082221
• Molecular Weight: 390.93

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzamides
• Alternative Parents: Benzenesulfonyl compounds Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers N-alkylpyrrolidines Sulfones Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organic chloride salts Organic zwitterions Hydrocarbon derivatives Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzamide - Benzenesulfonyl group - Phenoxy compound - Anisole - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - N-alkylpyrrolidine - Pyrrolidine - Sulfone - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organic chloride salt - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic salt - Organic zwitterion - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzamides. These are organic compounds containing a carboxamido substituent attached to a benzene ring.
• 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

Chemical and Physical Properties

• Solubility: Soluble in Methanol and Water
• Sensitivity: Moisture sensitive
• Melt Point(°C): 183-185° C
• Molecular Weight: 390.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 390.138 Da
• Monoisotopic Mass: 390.138 Da
• Topological Polar Surface Area: 84.100 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 517.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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