Pipamperone dihydrochloride , CAS No.2448-68-2

CAS: 2448-68-2 Cat. No.: P1428996 Molecular Weight: 448.4 EC Number: 219-507-5 PubChem CID: 11705034

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Pipamperone (Floropipamide; McN-JR 3345) dihydrochloride is a high-affinity antagonist of 5-HT 2A receptor ( pK i =8.2) and D 4 receptor ( pK i =8.0) and a low-affinity antagonist of D 2 receptor (pK i =6.7).

Specifications

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.

Action Type

ANTAGONIST

Names and Identifiers

• Canonical Smiles: C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N.Cl.Cl
• IUPAC Name: 1-[4-(4-fluorophenyl)-4-oxobutyl]-4-piperidin-1-ylpiperidine-4-carboxamide;dihydrochloride
• InChIKey: BMXXSXQVMCXGJM-UHFFFAOYSA-N
• INCHI: 1S/C21H30FN3O2.2ClH/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25;;/h6-9H,1-5,10-16H2,(H2,23,27);2*1H
• Isomeric SMILES: C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N.Cl.Cl
• WGK Germany: 1
• RTECS: DW1060000
• PubChem CID: 11705034
• Molecular Weight: 448.4

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Phenylbutylamines Butyrophenones Piperidinecarboxamides Aryl alkyl ketones Benzoyl derivatives Aminopiperidines Fluorobenzenes Aryl fluorides Gamma-amino ketones Trialkylamines Carboximidic acids Azacyclic compounds Hydrochlorides Organic oxides Organofluorides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - Butyrophenone - Phenylbutylamine - Piperidinecarboxamide - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - 4-aminopiperidine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Gamma-aminoketone - Piperidine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Carboximidic acid derivative - Carboximidic acid - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Hydrochloride - Organic nitrogen compound - Amine - Organopnictogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: hydrochloride

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