Fluperamide , CAS No.53179-10-5

CAS: 53179-10-5 Cat. No.: F668061 Fórmula: C₃₀H₃₂ClF₃N₂O₂ Peso molecular: 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

Especificaciones

Sinónimos

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, Show more

Condiciones de almacenamiento de almacenamiento

Room temperature

Propiedades del producto

ALogP

5.9

Nombres e identificadores

Sonrisas canónicas

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

Isómeros 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

Peso molecular

545

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

OPRM1 Tclin Mu-type opioid receptor (1 Activities)

Discover Target: OPRM1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

OPRM1 Tclin Mu opioid receptor (19785 Activities)

Discover Target: OPRM1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

OPRL1 Tchem Nociceptin receptor (3823 Activities)

Discover Target: OPRL1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 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