Fluanisone - Moligand™,≥98% , CAS No.1480-19-9

CAS: 1480-19-9 Cat. No.: F693581 Molecular Weight: 356.43 PubChem CID: 15139

GRADE & PURITY Moligand™, ≥98%

Synonyms

Sedalande | Haloanison

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Fluanisone (Haloanison) is a derivative of phenylbutanone that has a sedative effect. It is a typical antipsychotic drug used to treat schizophrenia.

Specifications

Synonyms

Sedalande | Haloanison

Specifications & Purity

Moligand™, ≥98%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC1=CC=CC=C1N2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
• IUPAC Name: 1-(4-fluorophenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
• InChIKey: IRYFCWPNDIUQOW-UHFFFAOYSA-N
• INCHI: 1S/C21H25FN2O2/c1-26-21-7-3-2-5-19(21)24-15-13-23(14-16-24)12-4-6-20(25)17-8-10-18(22)11-9-17/h2-3,5,7-11H,4,6,12-16H2,1H3
• Isomeric SMILES: COC1=CC=CC=C1N2CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F
• PubChem CID: 15139
• Molecular Weight: 356.43

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: Phenylpiperazines N-arylpiperazines Butyrophenones Phenylbutylamines Methoxyanilines Aminophenyl ethers Benzoyl derivatives Dialkylarylamines Aryl alkyl ketones Phenoxy compounds Methoxybenzenes Anisoles N-alkylpiperazines Alkyl aryl ethers Fluorobenzenes Gamma-amino ketones Aryl fluorides Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organofluorides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - Phenylpiperazine - N-arylpiperazine - Phenylbutylamine - Butyrophenone - Aminophenyl ether - Methoxyaniline - Tertiary aliphatic/aromatic amine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Benzoyl - Aniline or substituted anilines - Dialkylarylamine - Aryl alkyl ketone - Alkyl aryl ether - Halobenzene - N-alkylpiperazine - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Gamma-aminoketone - Benzenoid - Piperazine - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Azacycle - Ether - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Amine - Organopnictogen compound - 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: 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

Associated Targets(Human)

HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 Activities)

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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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POLB Tchem DNA polymerase beta (23632 Activities)

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ALOX15B Tchem Arachidonate 15-lipoxygenase, type II (7244 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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PMP22 Tbio Peripheral myelin protein 22 (699 Activities)

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Associated Targets(non-human)

Canis familiaris (36305 Activities)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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Adra1b Adrenergic receptor alpha-1 (5652 Activities)

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Drd5 Dopamine receptor (1304 Activities)

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Htr2b Serotonin 2 (5-HT2) receptor (2078 Activities)

Discover Target: Htr2b

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Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Light sensitive
• Molecular Weight: 356.400 g/mol
• XLogP3: 3.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 356.19 Da
• Monoisotopic Mass: 356.19 Da
• Topological Polar Surface Area: 32.800 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 432.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1