ISOETHARINE MESYLATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1984)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: DV74WJ5PJB

Structure
InChI Key SOYAGMVKMXZVNZ-UHFFFAOYSA-N
Smile CCC(NC(C)C)C(O)c1ccc(O)c(O)c1.CS(=O)(=O)O
InChI
InChI=1S/C13H21NO3.CH4O3S/c1-4-10(14-8(2)3)13(17)9-5-6-11(15)12(16)7-9;1-5(2,3)4/h5-8,10,13-17H,4H2,1-3H3;1H3,(H,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H25NO6S
Molecular Weight 335.42
AlogP 1.91
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 72.72
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 17.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Beta-2 adrenergic receptor agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 10.47
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
3840 - - - -
Transcription factor
125376 - - - -

Cross References

Resources Reference
ChEMBL CHEMBL1201153
EPA CompTox DTXSID2045571
FDA SRS DV74WJ5PJB
PubChem 76972622
SureChEMBL SCHEMBL212005
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