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Sudexanox

CAT: 0013-GTR19242451-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242451-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Sudexanox is a flavonoid derivative used in research for allergic conditions such as atopic asthma. It has shown potent anti-allergic activity in preclinical studies, notably inhibiting IgE-mediated passive cutaneous anaphylaxis in rat models.
CAS Number
58761-87-8
Smiles
O=C (O) C1=CC=C2OC3=C (C=C (C=C3CCCCCC) S (=O) (=N) C) C (=O) C2=C1
Molecular Formula
C21H23NO5S
Molecular Weight
401.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Sudexanox

structure given in first source

CAS Number58761-87-8
PubChem CID68785
IUPAC Name5-hexyl-7-(methylsulfonimidoyl)-9-oxoxanthene-2-carboxylic acid
Molecular FormulaC21H23NO5S
Molecular Weight401.5
XLogP6
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity701
SMILES
CCCCCCC1=C2C(=CC(=C1)S(=N)(=O)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O
InChI
InChI=1S/C21H23NO5S/c1-3-4-5-6-7-13-10-15(28(2,22)26)12-17-19(23)16-11-14(21(24)25)8-9-18(16)27-20(13)17/h8-12,22H,3-7H2,1-2H3,(H,24,25)
InChIKey
DIGXMFZQXQUVMR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Sudexanox
CAS: 58761-87-8
CID: 68785
Formula: C21H23NO5S
MW: 401.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight401.5
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass401.12969401
Monoisotopic Mass401.12969401
Topological Polar Surface Area113 Ų
Heavy Atom Count28
Formal Charge0
Complexity701
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T202104-01Sudexanox
T202147-01Sudexanox tromethamine

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