Ifenprodil hemitartrate - 10mM in DMSO , CAS No.23210-58-4

CAS: 23210-58-4 Cat. No.: I422747 Molecular Weight: 400.49 EC Number: 245-493-5

GRADE & PURITY 10mM in DMSO

Synonyms

ifenprodil tartrate|23210-58-4|Ifenprodil tartrate [JAN]|89CTB4XUF7|Ifenprodil L-(+)-tartrate|4-Benzyl-1-(beta,4-dihydroxy-alpha-methylphenethyl)piperidinium hydrogen tartrate|IFENPRODIL HEMITARTRATE|4-(2-(4-Benzylpiperidin-1-yl)-1-hydroxypropyl)phenol he

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Synonyms

ifenprodil tartrate | 23210-58-4 | Ifenprodil tartrate [JAN] | 89CTB4XUF7 | Ifenprodil L-(+)-tartrate | 4-Benzyl-1-(beta, 4-dihydroxy-alpha-methylphenethyl)piperidinium hydrogen tartrate | IFENPRODIL HEMITARTRATE | 4-(2-(4-Benzylpiperidin-1-yl)-1-hydroxypropyl)phenol he

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Non-competitive NMDA receptor antagonist acting at the polyamine site. Displays GluN2B (formerly NR2B) subunit selectivity. IC 50 values are 0.15 μM at NR1/NR2B and >30 μM for NR1/NR2A, NR1/NR2C and NR1/NR2D receptors.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Canonical Smiles: CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3.CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3.C(C(C(=O)O)O)(C(=O)O)O
• IUPAC Name: 4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol;(2R,3R)-2,3-dihydroxybutanedioic acid
• InChIKey: DMPRDSPPYMZQBT-CEAXSRTFSA-N
• INCHI: 1S/2C21H27NO2.C4H6O6/c2*1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17;5-1(3(7)8)2(6)4(9)10/h2*2-10,16,18,21,23-24H,11-15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t;;1-,2-/m..1/s1
• Isomeric SMILES: CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3.CC(C(C1=CC=C(C=C1)O)O)N2CCC(CC2)CC3=CC=CC=C3.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
• Molecular Weight: 400.49
• Reaxy-Rn: 8375497
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8375497&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-benzylpiperidines
• Alternative Parents: Phenylpropanes 1-hydroxy-2-unsubstituted benzenoids Sugar acids and derivatives Short-chain hydroxy acids and derivatives Aralkylamines Beta hydroxy acids and derivatives Alpha hydroxy acids and derivatives Dicarboxylic acids and derivatives Fatty acids and conjugates Monosaccharides Trialkylamines 1,2-aminoalcohols Secondary alcohols Carboxylic acids Azacyclic compounds Carbonyl compounds Organopnictogen compounds Aromatic alcohols Hydrocarbon derivatives Organic oxides
• Molecular Framework: Not available
• Substituents: 4-benzylpiperidine - Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Beta-hydroxy acid - Aralkylamine - Phenol - Short-chain hydroxy acid - Sugar acid - Alpha-hydroxy acid - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydroxy acid - Monosaccharide - Fatty acid - Benzenoid - 1,2-aminoalcohol - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic alcohol - Alcohol - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 801.000 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 13
• Exact Mass: 800.425 Da
• Monoisotopic Mass: 800.425 Da
• Topological Polar Surface Area: 202.000 Ų
• Heavy Atom Count: 58
• Formal Charge: 0
• Complexity: 487.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3