Fluperamide , CAS No.53179-10-5

CAS: 53179-10-5 Cat. No.: F668061 分子式: C₃₀H₃₂ClF₃N₂O₂ 分子量: 545 PubChem CID: 131534

Synonyms

Fluperamide|R-18910|R 18,910|4-(4-(4-chloro-3-(trifluoromethyl)phenyl)-4-hydroxypiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide|4-(4-Chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-4-hydroxy-N,N-dimethyl-alpha,alpha-diphenyl-1-piperidinebutyramide|4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide|Fluperamide [USAN:INN]|FLUPERAMIDE [INN]|FLUPERAMIDE [USAN]|1-PIPERIDINEBUTANAMIDE, 4-(4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL)-4-HYDROXY-N,N-DIMETHYL-.ALPHA.,.ALPHA.-DIPHENYL-|1-Piperidinebutanamide, 4-(4-chloro-3-(trifluoromethyl)phenyl)-4-hydroxy-N,N-dimethyl-alpha,alpha-diphenyl-|4-(4-CHLORO-.ALPHA.,.ALPHA.,.ALPHA.-TRIFLUORO-M-TOLYL)-4-HYDROXY-N,N-DIMETHYL-.ALPHA.,.ALPHA.-DIPHENYL-1-PIPERIDINEBUTYRAMIDE|4-[4-(4-Chloro-3-trifluoromethyl-phenyl)-4-hydroxy-piperidin-1-yl]-N,N-dimethyl-2,2-diphenyl-butyramide

Storage

Room temperature

仕様

同義語

Fluperamide | R-18910 | R 18,910 | 4-(4-(4-chloro-3-(trifluoromethyl)phenyl)-4-hydroxypiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide | 4-(4-Chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-4-hydroxy-N,N-dimethyl-alpha,alpha-diphenyl-1-piperidinebutyramide | 4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2, もっと見る

保管条件

Room temperature

製品の性質

ALogP

5.9

名前と識別子

カノニカル・スマイル

CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)(C3=CC=CC=C3)C4=CC=CC=C4

IUPAC Name

4-[4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide

InChIKey

WPYGCZCMGMVGNO-UHFFFAOYSA-N

INCHI

1S/C30H32ClF3N2O2/c1-35(2)27(37)29(22-9-5-3-6-10-22,23-11-7-4-8-12-23)17-20-36-18-15-28(38,16-19-36)24-13-14-26(31)25(21-24)30(32,33)34/h3-14,21,38H,15-20H2,1-2H3

異性体SMILES

CN(C)C(=O)C(CCN1CCC(CC1)(C2=CC(=C(C=C2)Cl)C(F)(F)F)O)(C3=CC=CC=C3)C4=CC=CC=C4

PubChem CID

131534

分子量

545

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenylpiperidines Trifluoromethylbenzenes Phenylacetamides Aralkylamines Chlorobenzenes Aryl chlorides N-acyl amines Tertiary carboxylic acid amides Tertiary alcohols Trialkylamines Amino acids and derivatives Azacyclic compounds Organic oxides Carbonyl compounds Alkyl fluorides Organochlorides Organofluorides Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Phenylpiperidine - Trifluoromethylbenzene - Phenylacetamide - Chlorobenzene - Aralkylamine - Halobenzene - N-acyl-amine - Aryl chloride - Aryl halide - Piperidine - Tertiary carboxylic acid amide - Tertiary alcohol - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organooxygen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

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作用メカニズム

化学的性質と物理的性質

• 分子量: 545.000 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 544.21 Da
• Monoisotopic Mass: 544.21 Da
• Topological Polar Surface Area: 43.800 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 754.000
• 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