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Esuprone

CAT: 0013-GTR19197666-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197666-03Size:5 mg
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Description
Esuprone (LU-43839) is a reversible and selective monoamine oxidase A (MAO-A) inhibitor developed for depression research. Its anticonvulsant properties have been investigated in preclinical models, supporting its potential as a multifunctional therapeutic agent for neurological disorders.
CAS Number
91406-11-0
Product Name Alternative
Esuprone, MAO-A, LU 43839, LU43839, LU-43839
Field of Research
Metabolism Research, Neuroscience
Purity
99.45% (May vary between batches)
Solubility
DMSO:2.83 mg/mL (10.02 mM)
Smiles
CC=1C=2C (=CC (OS (CC) (=O) =O) =CC2) OC (=O) C1C
Molecular Formula
C13H14O5S
Molecular Weight
282.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Esuprone

Esuprone is a small molecule drug. Esuprone has a monoisotopic molecular weight of 282.06 Da.

CAS Number91406-11-0
PubChem CID65827
IUPAC Name(3,4-dimethyl-2-oxochromen-7-yl) ethanesulfonate
Molecular FormulaC13H14O5S
Molecular Weight282.31
XLogP2.1
Topological Polar Surface Area78.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count19
Formal Charge0
Complexity500
SMILES
CCS(=O)(=O)OC1=CC2=C(C=C1)C(=C(C(=O)O2)C)C
InChI
InChI=1S/C13H14O5S/c1-4-19(15,16)18-10-5-6-11-8(2)9(3)13(14)17-12(11)7-10/h5-7H,4H2,1-3H3
InChIKey
CHDGAVDQRSPBTA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Esuprone
CAS: 91406-11-0
CID: 65827
Formula: C13H14O5S
MW: 282.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight282.31
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass282.05619472
Monoisotopic Mass282.05619472
Topological Polar Surface Area78.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity500
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T27288-01Esuprone

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