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(+) -DHMEQ

CAT: 0013-GTR19204497-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204497-01Size:25 mg
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Description
(+) -DHMEQ is the enantiomeric activator of the Nrf2 transcription factor, functioning as an antioxidant. This small molecule is used in research to study oxidative stress pathways and cytoprotective responses in both cellular and animal models.
CAS Number
287194-41-6
Field of Research
Immunology & Inflammation
Smiles
[H][C@]12O[C@@]1 ([H]) C (=O) C=C (NC (=O) c1ccccc1O) [C@H]2O
Molecular Formula
C13H11NO5
Molecular Weight
261.23
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(+)-Dhmeq
CAS Number287194-41-6
PubChem CID53310057
IUPAC Name2-hydroxy-N-[(1R,2R,6R)-2-hydroxy-5-oxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
Molecular FormulaC13H11NO5
Molecular Weight261.23
XLogP0
Topological Polar Surface Area99.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity446
SMILES
C1=CC=C(C(=C1)C(=O)NC2=CC(=O)[C@H]3[C@@H]([C@@H]2O)O3)O
InChI
InChI=1S/C13H11NO5/c15-8-4-2-1-3-6(8)13(18)14-7-5-9(16)11-12(19-11)10(7)17/h1-5,10-12,15,17H,(H,14,18)/t10-,11+,12-/m1/s1
InChIKey
IUOMATKBBPCLFR-GRYCIOLGSA-N
Chemical Structure
2D Structure
2D structure of (+)-Dhmeq
CAS: 287194-41-6
CID: 53310057
Formula: C13H11NO5
MW: 261.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight261.23
XLogP30
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass261.06372245
Monoisotopic Mass261.06372245
Topological Polar Surface Area99.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity446
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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