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Fenspiride HCl - 10mM in DMSO, high purity , CAS No.5053-08-7(DMSO)
Basic Description
Synonyms
Fenspiride hydrochloride | 5053-08-7 | Fenspiride HCl | Fluiden | Decaspiride | Pneumorel | Fenspiride (Hydrochloride) | NDR-5998A | NAT-333 | JP 428 | Fenspiride hydrochloride [USAN] | 8-(2-Phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride | Fenspiride-d5Hydrochlo
Specifications & Purity
10mM in DMSO
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azaspirodecane derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Azaspirodecane derivatives
Alternative Parents
Phenethylamines Aralkylamines Piperidines Oxazolidinones Carbamate esters Trialkylamines Organic carbonic acids and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Azaspirodecane - Phenethylamine - Aralkylamine - Monocyclic benzene moiety - Oxazolidinone - Piperidine - Benzenoid - Oxazolidine - Carbamic acid ester - Carbonic acid derivative - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as azaspirodecane derivatives. These are organic compounds containing a spirodecane moiety with at least one nitrogen atom.
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)
Associated Targets(non-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
8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;hydrochloride
INCHI
InChI=1S/C15H20N2O2.ClH/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13;/h1-5H,6-12H2,(H,16,18);1H
InChIKey
FIKFLLIUPUVONI-UHFFFAOYSA-N
Smiles
C1CN(CCC12CNC(=O)O2)CCC3=CC=CC=C3.Cl
Isomeric SMILES
C1CN(CCC12CNC(=O)O2)CCC3=CC=CC=C3.Cl
WGK Germany
3
RTECS
RO0375000
Molecular Weight
296.80
Reaxy-Rn
9017699
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9017699&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Heat sensitive，Moisture sensitive
Molecular Weight
296.790 g/mol
XLogP3
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
296.129 Da
Monoisotopic Mass
296.129 Da
Topological Polar Surface Area
41.600 Ų
Heavy Atom Count
20
Formal Charge
0
Complexity
318.000
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
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