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Isoetharine mesylate salt

CAT: 0013-GTR19169404-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169404-01Size:10 mg
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Description
Isoetharine mesylate salt
CAS Number
7279-75-6
Product Name Alternative
PXR, β-adrenergic Receptors Agonist, β-adrenergic receptor, Beta Receptor, COMT, catechol-like, bronchitis, bronchodilator, Adrenergic Receptor, AdrenergicReceptor, inhibit, Inhibitor, Isoetharine mesylate salt, Isoetarine, Isoetarine mesilate, Isoetharine, Isoetharine Mesylate, emphysema
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.00% (May vary between batches)
Solubility
H2O:199.7 mM;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.96 mM) ; DMSO:55 mg/mL (163.97 mM)
Smiles
CS (O) (=O) =O.CCC (NC (C) C) C (O) c1ccc (O) c (O) c1
Molecular Formula
C14H25NO6S
Molecular Weight
335.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Isoetharine Mesylate

See also: Isoetharine (has active moiety).

CAS Number7279-75-6
PubChem CID23702
IUPAC Name4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol;methanesulfonic acid
Molecular FormulaC14H25NO6S
Molecular Weight335.42
Topological Polar Surface Area135
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity315
SMILES
CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C.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)
InChIKey
SOYAGMVKMXZVNZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isoetharine Mesylate
CAS: 7279-75-6
CID: 23702
Formula: C14H25NO6S
MW: 335.42
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.42
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass335.14025869
Monoisotopic Mass335.14025869
Topological Polar Surface Area135 Ų
Heavy Atom Count22
Formal Charge0
Complexity315
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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