Lidanserin - ≥98% , CAS No.73725-85-6

CAS: 73725-85-6 Cat. No.: L694241 PubChem CID: 68919

GRADE & PURITY ≥98%

Storage

Room temperature

Specifications

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Aktionsart

ANTAGONIST

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: COC1=C(C=C(C=C1)C2CC(=O)NC2)OCCCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F
• IUPAC Name: 4-[3-[3-[4-(4-fluorobenzoyl)piperidin-1-yl]propoxy]-4-methoxyphenyl]pyrrolidin-2-one
• InChIKey: JDYWZVJXSMADHP-UHFFFAOYSA-N
• INCHI: 1S/C26H31FN2O4/c1-32-23-8-5-20(21-16-25(30)28-17-21)15-24(23)33-14-2-11-29-12-9-19(10-13-29)26(31)18-3-6-22(27)7-4-18/h3-8,15,19,21H,2,9-14,16-17H2,1H3,(H,28,30)
• Isomere SMILES: COC1=C(C=C(C=C1)C2CC(=O)NC2)OCCCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F
• Alternative CAS-Nummer: 132683-37-5,73725-85-6
• PubChem CID: 68919
• MeSH-Eintrag: 4-(3-(3-(4-(4-fluorobenzoyl)-1-piperidinyl)propoxy)-4-methoxyphenyl)-2-pyrrolidone;ZK 33.839;ZK 33839;ZK-33839

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Phenylpyrrolidines Anisoles Aryl alkyl ketones Benzoyl derivatives Methoxybenzenes Phenoxy compounds Fluorobenzenes Alkyl aryl ethers Aryl fluorides Gamma-amino ketones Piperidines Pyrrolidine-2-ones Pyrroles Amino acids and derivatives Lactams Trialkylamines Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - 3-phenylpyrrolidine - Anisole - Benzoyl - Phenol ether - Aryl alkyl ketone - Methoxybenzene - Phenoxy compound - Fluorobenzene - Alkyl aryl ether - Halobenzene - Gamma-aminoketone - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Piperidine - Pyrrolidone - 2-pyrrolidone - Pyrrole - Pyrrolidine - Carboxamide group - Amino acid or derivatives - Lactam - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Organopnictogen compound - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Aromatic heteromonocyclic compound
• Beschreibung: 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: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 454.500 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 454.227 Da
• Monoisotopic Mass: 454.227 Da
• Topological Polar Surface Area: 67.900 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 646.000
• 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: 1

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 73725-85-6. InChIKey JDYWZVJXSMADHP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.