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Sulfoxone (disodium)

CAT: 0804-HY-16473Size: InquireDry Ice: NoHazardous: No
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CAS Number
144-75-2
UNSPSC Description
Sulfoxone (Aldesulfone) disodium is an orally active sulphonamide antibiotic that is used against leprosy. Sulfoxone disodium can also be used in study of dermatitis herpetiformis[1][2].
Target Antigen
Antibiotic; Bacterial
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection; Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/sulfoxone-disodium.html
Solubility
10 mM in DMSO
Smiles
O=S(CNC1=CC=C(S(=O)(C2=CC=C(NCS(O[Na])=O)C=C2)=O)C=C1)O[Na]
Molecular Weight
448.45
Shipping Conditions
Room temperature
Clinical Information
No Development Reported

Chemical Information

Sulfoxone Sodium

Sulfoxone Sodium is a sodium salt form of sulfoxone, a water-soluble sulfonamide antibiotic used in the treatment of leprosy.

CAS Number144-75-2
PubChem CID8954
IUPAC Namedisodium;[4-[4-(sulfinatomethylamino)phenyl]sulfonylanilino]methanesulfinate
Molecular FormulaC14H14N2Na2O6S3
Molecular Weight448.5
Topological Polar Surface Area185
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity509
SMILES
C1=CC(=CC=C1NCS(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)NCS(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C14H16N2O6S3.2Na/c17-23(18)9-15-11-1-5-13(6-2-11)25(21,22)14-7-3-12(4-8-14)16-10-24(19)20;;/h1-8,15-16H,9-10H2,(H,17,18)(H,19,20);;/q;2*+1/p-2
InChIKey
AZBNFLZFSZDPQF-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Sulfoxone Sodium
CAS: 144-75-2
CID: 8954
Formula: C14H14N2Na2O6S3
MW: 448.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass447.98093826
Monoisotopic Mass447.98093826
Topological Polar Surface Area185 Ų
Heavy Atom Count27
Formal Charge0
Complexity509
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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