Co 101244 hydrochloride - ≥99%(HPLC) , CAS No.193356-17-1

CAS: 193356-17-1 Cat. No.: C288405 Summenformel: C₂₁H₂₇NO₃•HCl Molekulargewicht: 377.9

GRADE & PURITY ≥99%(HPLC)

Synonyms

PD 174494, Ro 63-1908 | 1-[2-(4-Hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]-4-piperidinol hydrochloride | 1-(2-(4-hydroxyphenoxy)ethyl)-4-(4-methylbenzyl)piperidin-4-ol hydrochloride

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

PD 174494, Ro 63-1908 | 1-[2-(4-Hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]-4-piperidinol hydrochloride | 1-(2-(4-hydroxyphenoxy)ethyl)-4-(4-methylbenzyl)piperidin-4-ol hydrochloride

Spezifikationen & Reinheit

≥99%(HPLC)

Biochemische und physiologische Mechanismen

Novel, potent and selective antagonist of GluN2B (formally NR2B)-containing NMDA receptors (IC50values are 0.043, > 100 and > 100μM for GluN1A/2B (NR1A/2B), GluN1A/2A (NR1A/2A) and GluN1A/2C (NR1A/2C) subunit combinations respectively). Displays neuroprot

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

ANTAGONIST

Reinheit

≥99%(HPLC)

Namen und Kennungen

Pubchem Sid

488195877

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195877

Kanonisches Lächeln

CC1=CC=C(C=C1)CC2(CCN(CC2)CCOC3=CC=C(C=C3)O)O.Cl

IUPAC Name

1-[2-(4-hydroxyphenoxy)ethyl]-4-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride

InChIKey

WFFZHKKSIDENAJ-UHFFFAOYSA-N

INCHI

1S/C21H27NO3.ClH/c1-17-2-4-18(5-3-17)16-21(24)10-12-22(13-11-21)14-15-25-20-8-6-19(23)7-9-20;/h2-9,23-24H,10-16H2,1H3;1H

Isomere SMILES

CC1=CC=C(C=C1)CC2(CCN(CC2)CCOC3=CC=C(C=C3)O)O.Cl

Molekulargewicht

377.9

Reaxy-Rn

8458032

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8458032&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-benzylpiperidines
• Alternative Parents: 4-alkoxyphenols Phenoxy compounds Phenol ethers Toluenes Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Tertiary alcohols Trialkylamines Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-benzylpiperidine - 4-alkoxyphenol - Phenoxy compound - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Toluene - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Ether - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrochloride - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as 4-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 4-position of a piperidine.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:water, Max Conc. mg/mL: 37.79, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 18.9, Max Conc. mM: 50
• Molekulargewicht: 377.900 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 377.176 Da
• Monoisotopic Mass: 377.176 Da
• Topological Polar Surface Area: 52.900 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 379.000
• 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: 2

XLogP3

Häufig gestellte Fragen

What is the purity of this product, and how is it determined?

This product is supplied at ≥99% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 193356-17-1, the molecular formula is C21H28ClNO3, and the molecular weight is 377.9 g/mol. InChIKey WFFZHKKSIDENAJ-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.