N-Desmethyl Loperamide - Moligand™, ≥98% , CAS No.66164-07-6

CAS: 66164-07-6 Cat. No.: N350714 Formula: C₂₈H₃₁ClN₂O₂ Peso molecolare: 463.01

GRADE & PURITY Moligand™, ≥98%

Synonyms

AKOS030255652 | DESMETHYLLOPERAMIDE | 1-Piperidinebutanamide,4-(4-chlorophenyl)-4-hydroxy-N-methyl-a,a-diphenyl- | SCHEMBL2313168 | 0R07BFN7L3 | N-Desmethyl-loperamide | C90153 | DESMETHYL LOPERAMIDE | (11C)N-desmethyl-loperamide | R-20905 | DTXSID7043095

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Panoramica

N-Desmethyl Loperamide is a metabolite of Loperamide; a new and improved PET radiotracer for imaging P-gp function.

Specifications

Sinonimi

AKOS030255652 | DESMETHYLLOPERAMIDE | 1-Piperidinebutanamide,4-(4-chlorophenyl)-4-hydroxy-N-methyl-a,a-diphenyl- | SCHEMBL2313168 | 0R07BFN7L3 | N-Desmethyl-loperamide | C90153 | DESMETHYL LOPERAMIDE | (11C)N-desmethyl-loperamide | R-20905 | DTXSID7043095

Specifiche e purezza

Moligand™, ≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

ACTIVATOR

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

528766048

Sorrisi canonici

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

IUPAC Name

4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N-methyl-2,2-diphenylbutanamide

InChIKey

ZMOPTLXEYOVARP-UHFFFAOYSA-N

INCHI

1S/C28H31ClN2O2/c1-30-26(32)28(23-8-4-2-5-9-23,24-10-6-3-7-11-24)18-21-31-19-16-27(33,17-20-31)22-12-14-25(29)15-13-22/h2-15,33H,16-21H2,1H3,(H,30,32)

Isomeri SMILES

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

Peso molecolare

463.01

Reaxy-Rn

1517638

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1517638&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenylpiperidines Phenylacetamides Aralkylamines Chlorobenzenes Aryl chlorides N-acyl amines Tertiary alcohols Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Phenylpiperidine - Phenylacetamide - Halobenzene - Aralkylamine - Chlorobenzene - N-acyl-amine - Aryl chloride - Piperidine - Aryl halide - Fatty amide - Fatty acyl - Tertiary alcohol - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Alcohol - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound
• Descrizione: 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: piperidines - tertiary alcohol - monocarboxylic acid amide - monochlorobenzenes

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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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Soluble in DMSO
• Punto di fusione (°C): 213-217° C
• Peso molecolare: 463.000 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 462.207 Da
• Monoisotopic Mass: 462.207 Da
• Topological Polar Surface Area: 52.600 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 595.000
• 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