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Dipivefrine Hydrochloride - 10mM in DMSO, high purity , CAS No.64019-93-8, Adrenergic receptor agonist
Basic Description
Synonyms
Dipivefrin hydrochloride | 64019-93-8 | Dipivefrin HCL | Dipivefrine hydrochloride | Dipivefrin (hydrochloride) | AKPro | UNII-5QTH9UHV0K | Dipivalyl epinephrine hydrochloride | 5QTH9UHV0K | EINECS 264-609-5 | CHEBI:4647 | DTXSID2045494 | Dipivefrine (hydrochloride) | (1)-4-(1-Hyd
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.
Action Type
AGONIST
Mechanism of action
Adrenergic receptor agonist
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol esters
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol esters
Alternative Parents
Phenoxy compounds Aralkylamines Dicarboxylic acids and derivatives Secondary alcohols Carboxylic acid esters Amino acids and derivatives 1,2-aminoalcohols Dialkylamines Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Phenol ester - Phenoxy compound - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Secondary aliphatic amine - Secondary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic alcohol - Hydrochloride - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Amine - Alcohol - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.
External Descriptors
hydrochloride
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
[2-(2,2-dimethylpropanoyloxy)-4-[1-hydroxy-2-(methylamino)ethyl]phenyl] 2,2-dimethylpropanoate;hydrochloride
INCHI
InChI=1S/C19H29NO5.ClH/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6;/h8-10,13,20-21H,11H2,1-7H3;1H
InChIKey
VKFAUCPBMAGVRG-UHFFFAOYSA-N
Smiles
CC(C)(C)C(=O)OC1=C(C=C(C=C1)C(CNC)O)OC(=O)C(C)(C)C.Cl
Isomeric SMILES
CC(C)(C)C(=O)OC1=C(C=C(C=C1)C(CNC)O)OC(=O)C(C)(C)C.Cl
Alternate CAS
52365-63-6
Molecular Weight
387.9
Reaxy-Rn
6458483
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6458483&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
151-154°C
Molecular Weight
387.900 g/mol
XLogP3
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
9
Exact Mass
387.181 Da
Monoisotopic Mass
387.181 Da
Topological Polar Surface Area
84.900 Ų
Heavy Atom Count
26
Formal Charge
0
Complexity
463.000
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
2
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