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Nylidrin Hydrochloride - 10mM in Water, high purity , CAS No.849-55-8
β-adrenergic receptor Selective Inhibitors | Agonists | Antagonists
Basic Description
Synonyms
Nylidrin hydrochloride | 849-55-8 | Buphenine hydrochloride | Nylidrin (hydrochloride) | Nylidrin HCl | Arlibide | Arlidin | Buphedrin | Dilatol | Vasiten | Buphenin hydrochloride | NSC-142004 | MLS000069387 | Dilatyl | Suprifen psb hydrochloride | SMR000058488 | 4-[1-hydroxy-2-(4-pheny
Specifications & Purity
10mM in Water
Biochemical and Physiological Mechanisms
Nylidrin Hydrochloride (Buphenine), a β-adrenergic agonist, is used therapeutically for its vasodilating effect on the peripheral circulation and possibly on the cerebral circulation as well.
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.
Product Description
Information
Nylidrin Hydrochloride (Buphenine), aβ-adrenergicagonist, is used therapeutically for its vasodilating effect on the peripheral circulation and possibly on the cerebral circulation as well.
Targets
β-adrenergic receptor
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpropanes
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanes
Alternative Parents
Aralkylamines 1-hydroxy-2-unsubstituted benzenoids Secondary alcohols 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Organic zwitterions Organic chloride salts Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - 1,2-aminoalcohol - Secondary alcohol - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Organic zwitterion - Aromatic alcohol - Organic salt - Organic chloride salt - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
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.
Product Properties
ALogP
4.112
HBD Count
3
Rotatable Bond
7
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
4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)propyl]phenol;hydrochloride
INCHI
InChI=1S/C19H25NO2.ClH/c1-14(8-9-16-6-4-3-5-7-16)20-15(2)19(22)17-10-12-18(21)13-11-17;/h3-7,10-15,19-22H,8-9H2,1-2H3;1H
InChIKey
CLJHABUMMDMAFA-UHFFFAOYSA-N
Smiles
CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O.Cl
Isomeric SMILES
CC(CCC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O.Cl
Molecular Weight
335.87
Reaxy-Rn
4166703
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4166703&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Water(mg / mL) Max Solubility
67
Water(mM) Max Solubility
199.481942418198
Molecular Weight
335.900 g/mol
XLogP3
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
7
Exact Mass
335.165 Da
Monoisotopic Mass
335.165 Da
Topological Polar Surface Area
52.500 Ų
Heavy Atom Count
23
Formal Charge
0
Complexity
296.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
3
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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