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Disufenton sodium

CAT: 1568-C11526-01Size: 10 mgDry Ice: YesHazardous: No
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CAT#:1568-C11526-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
168021-79-2
Synonyms
NXY-059, Cerovive
SKU
C11526-10mg
Target
Others
Applications
Others
Smiles
CC (C) (C) [N+] (=CC1=C (C=C (C=C1) S (=O) (=O) [O-]) S (=O) (=O) [O-]) [O-].[Na+].[Na+]
Molecular Formula
C11H13NNa2O7S2
Additionnal Information
Disufenton Sodium (NXY-059, Cerovive) is a novel nitrone, shows efficacious neuroprotective effects. Phase 3.
Storage Conditions
2 years -80 in solvent

Chemical Information

Disufenton Sodium

Disufenton Sodium is a disulfonyl derivative of phenyl-tert-butyl nitrone (PBN), with potential anti-glioma activity.

CAS Number168021-79-2
PubChem CID6440181
IUPAC Namedisodium;4-[(Z)-[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate
Molecular FormulaC11H13NNa2O7S2
Molecular Weight381.3
Topological Polar Surface Area160
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count23
Formal Charge0
Complexity578
SMILES
CC(C)(C)/[N+](=C/C1=C(C=C(C=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])/[O-].[Na+].[Na+]
InChI
InChI=1S/C11H15NO7S2.2Na/c1-11(2,3)12(13)7-8-4-5-9(20(14,15)16)6-10(8)21(17,18)19;;/h4-7H,1-3H3,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2/b12-7-;;
InChIKey
XLZOVRYBVCMCGL-BPNVQINPSA-L
Chemical Structure
2D Structure
2D structure of Disufenton Sodium
CAS: 168021-79-2
CID: 6440181
Formula: C11H13NNa2O7S2
MW: 381.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight381.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass380.99288266
Monoisotopic Mass380.99288266
Topological Polar Surface Area160 Ų
Heavy Atom Count23
Formal Charge0
Complexity578
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19172083-01Disufenton sodium
200721Disufenton sodium (Cerovive)
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21121001Sodium caprylate- (Sodium octanoate)
RM-T081600-01Thiopental Sodium And Sodium Carbonate
GTR19178128-01Emlenoflast sodium (MCC7840 sodium)
AR-M08542-01Nadroparin Sodium (Heparin Sodium)
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