PHENTOLAMINE MESYLATE

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Synonyms
Status
Molecule Category Salt-form
UNII Y7543E5K9T
EPA CompTox DTXSID60215315

Structure

InChI Key OGIYDFVHFQEFKQ-UHFFFAOYSA-N
Smiles CS(=O)(=O)O.Cc1ccc(N(CC2=NCCN2)c2cccc(O)c2)cc1
InChI
InChI=1S/C17H19N3O.CH4O3S/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15;1-5(2,3)4/h2-8,11,21H,9-10,12H2,1H3,(H,18,19);1H3,(H,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H23N3O4S
Molecular Weight 377.47
AlogP 2.84
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 47.86
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Bioactivity

Mechanism of Action Action Reference
Adrenergic receptor alpha antagonist ANTAGONIST DailyMed
Protein: Adrenergic receptor alpha
Description: Alpha-2A adrenergic receptor
Organism : Homo sapiens
P08913 ENSG00000150594
Protein: Adrenergic receptor alpha
Description: Alpha-2B adrenergic receptor
Organism : Homo sapiens
P18089 ENSG00000274286
Protein: Adrenergic receptor alpha
Description: Alpha-2C adrenergic receptor
Organism : Homo sapiens
P18825 ENSG00000184160
Protein: Adrenergic receptor alpha
Description: Alpha-1D adrenergic receptor
Organism : Homo sapiens
P25100 ENSG00000171873
Protein: Adrenergic receptor alpha
Description: Alpha-1A adrenergic receptor
Organism : Homo sapiens
P35348 ENSG00000120907
Protein: Adrenergic receptor alpha
Description: Alpha-1B adrenergic receptor
Organism : Homo sapiens
P35368 ENSG00000170214
Assay Description Organism Bioactivity Reference
Vasorelaxant activity in Sprague-Dawley rat aortic artery assessed as reduction in phenylephrine-induced contractions Rattus norvegicus 100.0 nM

Cross References

Resources Reference
ChEMBL CHEMBL1200873
FDA SRS Y7543E5K9T
SureChEMBL SCHEMBL40852
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