Disufenton sodiumProduct ingredient for Disufenton

Name
Disufenton sodium
Drug Entry
Disufenton
Accession Number
DBSALT003322
Structure
Synonyms
1,3-Benzenedisulfonic acid, 4-(((1,1-dimethylethyl)oxidoimino)methyl)-, disodium salt / Cerovive / Disodium (tert-butylimino)methyl)benzene-1,3-disulfonate N-oxide / Disodium 4-(((1,1-dimethylethyl)imino)methyl)benzene-1,3-disulfonate N-oxide / DISODIUM 4-((TERT-BUTYLIMINO)METHYL)BENZENE-1,3-DISULFONATE N-OXIDE / Disodium 4-tert-butyliminomethyl)benzene-,3-disulfonate N-oxide
External IDs
ARL 16556 / CPI 22 / HPN-07 / NXY 059 / OKN-007
UNII
7M1J3HN9VO
CAS Number
168021-79-2
Weight
Average: 404.31
Monoisotopic: 403.98210337
Chemical Formula
C11H13NNa3O7S2
InChI Key
XLZOVRYBVCMCGL-UHFFFAOYSA-L
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
IUPAC Name
SMILES
[Na+].[Na+].CC(C)(C)[N+]([O-])=CC1=C(C=C(C=C1)S([O-])(=O)=O)S([O-])(=O)=O
ChemSpider
28530805
ChEMBL
CHEMBL2107334
Wikipedia
Disufenton_sodium
Predicted Properties
PropertyValueSource
Water Solubility0.285 mg/mLALOGPS
logP-0.47ALOGPS
logS-3.1ALOGPS