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Reboxetine - 98%, high purity , CAS No.71620-89-8, Inhibitor of NET
Basic Description
Synonyms
Reboxetine | 71620-89-8 | 98769-81-4 | Reboxetine [INN] | 105017-38-7 | (2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine | 947S0YZ36I | Reboxetine (INN) | Norebox | (2r)-2-[(R)-(2-Ethoxyphenoxy)(Phenyl)methyl]morpholine | Reboxitine | Morpholine, 2-[(R)-(2-ethoxyphenoxy)p
Specifications & Purity
Moligand™, ≥98%
Storage Temp
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Inhibitor of NET
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds Aralkylamines Alkyl aryl ethers Morpholines Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Morpholine - Oxazinane - Dialkyl ether - Secondary aliphatic amine - Ether - Oxacycle - Secondary amine - Organoheterocyclic compound - Azacycle - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
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
(2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
INCHI
InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m1/s1
InChIKey
CBQGYUDMJHNJBX-RTBURBONSA-N
Smiles
CCOC1=CC=CC=C1OC(C2CNCCO2)C3=CC=CC=C3
Isomeric SMILES
CCOC1=CC=CC=C1O[C@@H]([C@H]2CNCCO2)C3=CC=CC=C3
PubChem CID
127151
Molecular Weight
313.39
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
313.400 g/mol
XLogP3
3.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Rotatable Bond Count
6
Exact Mass
313.168 Da
Monoisotopic Mass
313.168 Da
Topological Polar Surface Area
39.700 Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
333.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
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
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