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Mephentermine sulfate , Adrenergic receptor agonist, CAS No.1212-72-2, Adrenergic receptor agonist
Basic Description
Synonyms
Mephentermine sulfate | N,2-dimethyl-1-phenylpropan-2-amine hemisulfate | Mephentermine sulfate (USP) | 580655Z8RR | HMS3714A14 | Wyamine sulphate | Mephentermine Hemisulphate 1.0 mg/ml in Methanol (as free base) | Wyamine sulfate (TN) | N-Methyl-omega-ph
Action Type
AGONIST
Mechanism of action
Adrenergic receptor agonist
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Amphetamines and derivatives
Alternative Parents
Phenylpropanes Aralkylamines Organic sulfuric acids Dialkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Amphetamine or derivatives - Phenylpropane - Aralkylamine - Sulfuric acid - Organic sulfuric acid or derivatives - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
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
N,2-dimethyl-1-phenylpropan-2-amine;sulfuric acid
INCHI
InChI=1S/2C11H17N.H2O4S/c2*1-11(2,12-3)9-10-7-5-4-6-8-10;1-5(2,3)4/h2*4-8,12H,9H2,1-3H3;(H2,1,2,3,4)
InChIKey
DNKCFBJMFIUNRS-UHFFFAOYSA-N
Smiles
CC(C)(CC1=CC=CC=C1)NC.CC(C)(CC1=CC=CC=C1)NC.OS(=O)(=O)O
Isomeric SMILES
CC(C)(CC1=CC=CC=C1)NC.CC(C)(CC1=CC=CC=C1)NC.OS(=O)(=O)O
PubChem CID
71611
Molecular Weight
424.6
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
424.600 g/mol
XLogP3
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
6
Exact Mass
424.24 Da
Monoisotopic Mass
424.24 Da
Topological Polar Surface Area
107.000 Ų
Heavy Atom Count
29
Formal Charge
0
Complexity
204.000
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
3
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