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blarcamesine , CAS No.195615-83-9, Agonist of sigma non-opioid intracellular receptor 1
Basic Description
Synonyms
D87137 | NCGC00387227-01 | AN2/AVex-73 | EX-A3143 | DTXCID8028711 | RAC-1-((3R)-2,2-DIPHENYLOXOLAN-3-YL)-N,N-DIMETHYLMETHANAMINE | Anavex-2-73 free base (Blarcamesine) | Tetrahydro-N,N-dimethyl-2,2-diphenyl-3-furanmethanamine | AKOS040748703 | Blarcamesin
Specifications & Purity
Moligand™
Grade
Moligand™
Action Type
AGONIST
Mechanism of action
Agonist of sigma non-opioid intracellular receptor 1
Taxonomic Classification
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 Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Diphenylmethane - Aralkylamine - Oxolane - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - 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.
Associated Targets(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1-(2,2-diphenyloxolan-3-yl)-N,N-dimethylmethanamine
INCHI
InChI=1S/C19H23NO/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
InChIKey
BOTHKNZTGGXFEQ-UHFFFAOYSA-N
Smiles
CN(C)CC1CCOC1(C2=CC=CC=C2)C3=CC=CC=C3
Isomeric SMILES
CN(C)CC1CCOC1(C2=CC=CC=C2)C3=CC=CC=C3
Alternate CAS
195615-83-9
PubChem CID
9882189
MeSH Entry Terms
ANAVEX2-73;blarcamesine;tetrahydro-N, N-dimethyl-2,2-diphenyl-3-furanmethanamine hydrochloride
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
281.400 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
281.178 Da
Monoisotopic Mass
281.178 Da
Topological Polar Surface Area
12.500 Ų
Heavy Atom Count
21
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
1
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