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Furaltadone hydrochloride - analytical standard,99.8%, high purity , CAS No.3759-92-0
Basic Description
Synonyms
5-[(morpholin-4-yl)methyl]-3-[(E)-[(5-nitrofuran-2-yl)methylidene]amino]-1,3-oxazolidin-2-one hydrochloride | 2-(tert-butoxycarbonyl-oximino)-2-phenylacetonitrile | 2-Bromo-4-(trifluoromethyl)aniline, 97% | 2-oxazolidinone, 5-(4-morpholinylmethyl)-3-[[(5-
Specifications & Purity
analytical standard, ≥99.8%
Storage Temp
Store at 2-8°C,Protected from light
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
analytical standard
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Furans
Subclass
Nitrofurans
Intermediate Tree Nodes
Not available
Direct Parent
Nitrofurans
Alternative Parents
Nitroaromatic compounds Oxazolidinones Morpholines Heteroaromatic compounds Trialkylamines Organic carbonic acids and derivatives Azacyclic compounds Dialkyl ethers Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrochlorides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitroaromatic compound - 2-nitrofuran - Morpholine - Oxazinane - Oxazolidinone - Oxazolidine - Heteroaromatic compound - C-nitro compound - Carbonic acid derivative - Tertiary amine - Tertiary aliphatic amine - Organic nitro compound - Oxacycle - Azacycle - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Dialkyl ether - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Hydrochloride - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrofurans. These are compounds containing a furan ring which bears a nitro group.
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(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
5-(morpholin-4-ylmethyl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]-1,3-oxazolidin-2-one;hydrochloride
INCHI
InChI=1S/C13H16N4O6.ClH/c18-13-16(14-7-10-1-2-12(22-10)17(19)20)9-11(23-13)8-15-3-5-21-6-4-15;/h1-2,7,11H,3-6,8-9H2;1H/b14-7+;
InChIKey
PPSVFZXMDMUIGB-FJUODKGNSA-N
Smiles
C1COCCN1CC2CN(C(=O)O2)N=CC3=CC=C(O3)[N+](=O)[O-].Cl
Isomeric SMILES
C1COCCN1CC2CN(C(=O)O2)/N=C/C3=CC=C(O3)[N+](=O)[O-].Cl
RTECS
RQ3630000
Molecular Weight
360.75
Reaxy-Rn
5695209
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5695209&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Light sensitive.
Molecular Weight
360.750 g/mol
XLogP3
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
8
Rotatable Bond Count
4
Exact Mass
360.084 Da
Monoisotopic Mass
360.084 Da
Topological Polar Surface Area
113.000 Ų
Heavy Atom Count
24
Formal Charge
0
Complexity
476.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
1
Defined Bond Stereocenter Count
1
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
1
Covalently-Bonded Unit Count
2
Citations of This Product
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1 Citations
J2313450