AN2/AVex-73 hydrochloride salt - 10mM in DMSO , CAS No.195615-84-0

CAS: 195615-84-0 Cat. No.: A422388 Molecular Weight: 317.86 EC Number: 853-967-3

GRADE & PURITY 10mM in DMSO

Synonyms

AVex-73 hydrochloride | (+/-)-.DELTA.-HEXALACTONE | Blarcamesine hydrochloride [USAN] | AC-33187 | MFCD30146449 | SCHEMBL15938931 | EN300-20623 | AN2/AVex-73 hydrochloride salt | Q27252594 | 1-(2,2-diphenyloxolan-3-yl)-N,N-dimethylmethanamine;hydrochlorid

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Product Description：
Blarcamesine hydrochloride is a Sigma-1 Receptor agonist with an IC50 of 860 nM.

Specifications

Synonyms

AVex-73 hydrochloride | (+/-)-.DELTA.-HEXALACTONE | Blarcamesine hydrochloride [USAN] | AC-33187 | MFCD30146449 | SCHEMBL15938931 | EN300-20623 | AN2/AVex-73 hydrochloride salt | Q27252594 | 1-(2, 2-diphenyloxolan-3-yl)-N, N-dimethylmethanamine;hydrochlorid

Specifications & Purity

10mM in DMSO

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.

Action Type

AGONIST

Names and Identifiers

• Canonical Smiles: CN(C)CC1CCOC1(C2=CC=CC=C2)C3=CC=CC=C3.Cl
• IUPAC Name: 1-(2,2-diphenyloxolan-3-yl)-N,N-dimethylmethanamine;hydrochloride
• InChIKey: FEQOLYDPQKHFTD-UHFFFAOYSA-N
• INCHI: 1S/C19H23NO.ClH/c1-20(2)15-18-13-14-21-19(18,16-9-5-3-6-10-16)17-11-7-4-8-12-17;/h3-12,18H,13-15H2,1-2H3;1H
• Isomeric SMILES: CN(C)CC1CCOC1(C2=CC=CC=C2)C3=CC=CC=C3.Cl
• Molecular Weight: 317.86
• Reaxy-Rn: 7501989
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7501989&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Aralkylamines Oxolanes Trialkylamines Oxacyclic compounds Dialkyl ethers Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylmethane - Aralkylamine - Oxolane - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Hydrochloride - Aromatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 317.900 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 317.155 Da
• Monoisotopic Mass: 317.155 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 298.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3