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
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-;;
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
Edited
Sat Dec 16 17:38:28 UTC 2023
by
admin
on
Sat Dec 16 17:38:28 UTC 2023
|
Record UNII |
7M1J3HN9VO
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Official Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Code | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
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 | ||
---|---|---|---|---|---|
|
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 | |||
|
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 | |||
|
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 | |||
|
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 | |||
|
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 | |||
|
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 | |||
|
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 | |||
|
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 | |||
|
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 | |||
|
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 | |||
|
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 | ||
|
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 | |||
|
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 |
|