U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H13NO7S2.2Na
Molecular Weight 381.333
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0
Stereo Comments MM2 minimum energy of Z and E are 288.5886 and 451.3651 kcal/mol respectively (for free acid).

SHOW SMILES / InChI
Structure of DISUFENTON SODIUM

SMILES

[Na+].[Na+].CC(C)(C)[N+](\[O-])=C\C1=C(C=C(C=C1)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=XLZOVRYBVCMCGL-BPNVQINPSA-L
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-;;

HIDE SMILES / InChI

Molecular Formula C11H13NO7S2
Molecular Weight 335.353
Charge -2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Molecular Formula Na
Molecular Weight 22.9898
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 17:38:28 UTC 2023
Edited
by admin
on Sat Dec 16 17:38:28 UTC 2023
Record UNII
7M1J3HN9VO
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DISUFENTON SODIUM
INN   MART.   USAN   WHO-DD  
USAN   INN  
Official Name English
DISODIUM 4-((TERT-BUTYLIMINO)METHYL)BENZENE-1,3-DISULFONATE N-OXIDE
Common Name English
disufenton sodium [INN]
Common Name English
OKN-007
Code English
HPN-07
Code English
DISUFENTON SODIUM SALT
MI  
Common Name English
1,3-BENZENEDISULFONIC ACID, 4-(((1,1-DIMETHYLETHYL)OXIDOIMINO)METHYL), DISODIUM SALT
Common Name English
DISUFENTON SODIUM [MART.]
Common Name English
DISUFENTON SODIUM [USAN]
Common Name English
CEROVIVE
Common Name English
DISODIUM 4-(((1,1-DIMETHYLETHYL)IMINO)METHYL)BENZENE-1,3-DISULPHONATE N-OXIDE
Common Name English
DISUFENTON SODIUM SALT [MI]
Common Name English
DISODIUM 4-(((1,1-DIMETHYLETHYL)IMINO)METHYL)BENZENE-1,3-DISULFONATE N-OXIDE
Common Name English
Disufenton sodium [WHO-DD]
Common Name English
DISODIUM 4-((TERT-BUTYLIMINO)METHYL)BENZENE-1,3-DISULPHONATE N-OXIDE
Common Name English
NXY-059
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 531616
Created by admin on Sat Dec 16 17:38:28 UTC 2023 , Edited by admin on Sat Dec 16 17:38:28 UTC 2023
NCI_THESAURUS C275
Created by admin on Sat Dec 16 17:38:28 UTC 2023 , Edited by admin on Sat Dec 16 17:38:28 UTC 2023
FDA ORPHAN DRUG 757820
Created by admin on Sat Dec 16 17:38:28 UTC 2023 , Edited by admin on Sat Dec 16 17:38:28 UTC 2023
Code System Code Type Description
CAS
168021-79-2
Created by admin on Sat Dec 16 17:38:28 UTC 2023 , Edited by admin on Sat Dec 16 17:38:28 UTC 2023
PRIMARY
SMS_ID
100000124396
Created by admin on Sat Dec 16 17:38:28 UTC 2023 , Edited by admin on Sat Dec 16 17:38:28 UTC 2023
PRIMARY
USAN
PP-59
Created by admin on Sat Dec 16 17:38:28 UTC 2023 , Edited by admin on Sat Dec 16 17:38:28 UTC 2023
PRIMARY
INN
8187
Created by admin on Sat Dec 16 17:38:28 UTC 2023 , Edited by admin on Sat Dec 16 17:38:28 UTC 2023
PRIMARY
EPA CompTox
DTXSID50895069
Created by admin on Sat Dec 16 17:38:28 UTC 2023 , Edited by admin on Sat Dec 16 17:38:28 UTC 2023
PRIMARY
ChEMBL
CHEMBL1206050
Created by admin on Sat Dec 16 17:38:28 UTC 2023 , Edited by admin on Sat Dec 16 17:38:28 UTC 2023
PRIMARY
PUBCHEM
6440181
Created by admin on Sat Dec 16 17:38:28 UTC 2023 , Edited by admin on Sat Dec 16 17:38:28 UTC 2023
PRIMARY
WIKIPEDIA
DISUFENTON SODIUM
Created by admin on Sat Dec 16 17:38:28 UTC 2023 , Edited by admin on Sat Dec 16 17:38:28 UTC 2023
PRIMARY
EVMPD
SUB32238
Created by admin on Sat Dec 16 17:38:28 UTC 2023 , Edited by admin on Sat Dec 16 17:38:28 UTC 2023
PRIMARY
MESH
C120851
Created by admin on Sat Dec 16 17:38:28 UTC 2023 , Edited by admin on Sat Dec 16 17:38:28 UTC 2023
PRIMARY
MERCK INDEX
m4676
Created by admin on Sat Dec 16 17:38:28 UTC 2023 , Edited by admin on Sat Dec 16 17:38:28 UTC 2023
PRIMARY Merck Index
NCI_THESAURUS
C77600
Created by admin on Sat Dec 16 17:38:28 UTC 2023 , Edited by admin on Sat Dec 16 17:38:28 UTC 2023
PRIMARY
FDA UNII
7M1J3HN9VO
Created by admin on Sat Dec 16 17:38:28 UTC 2023 , Edited by admin on Sat Dec 16 17:38:28 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY