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Details

Stereochemistry RACEMIC
Molecular Formula C13H10IN2O8S.Na
Molecular Weight 504.186
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Sulfo-SIAB sodium

SMILES

[Na+].[O-]S(=O)(=O)C1CC(=O)N(OC(=O)C2=CC=C(NC(=O)CI)C=C2)C1=O

InChI

InChIKey=HHSGWIABCIVPJT-UHFFFAOYSA-M
InChI=1S/C13H11IN2O8S.Na/c14-6-10(17)15-8-3-1-7(2-4-8)13(20)24-16-11(18)5-9(12(16)19)25(21,22)23;/h1-4,9H,5-6H2,(H,15,17)(H,21,22,23);/q;+1/p-1

HIDE SMILES / InChI

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

Molecular Formula C13H10IN2O8S
Molecular Weight 481.197
Charge -1
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:53:47 GMT 2023
Edited
by admin
on Sat Dec 16 19:53:47 GMT 2023
Record UNII
5EUQ7PWP2M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Sulfo-SIAB sodium
Common Name English
Sodium 2,5-Dioxo-3-sulfo-1-pyrrolidinyl 4-[(2-iodoacetyl)amino]benzoate
Systematic Name English
Benzoic acid, 4-[(2-iodoacetyl)amino]-, 2,5-dioxo-3-sulfo-1-pyrrolidinyl ester, sodium salt (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
4131104
Created by admin on Sat Dec 16 19:53:47 GMT 2023 , Edited by admin on Sat Dec 16 19:53:47 GMT 2023
PRIMARY
CAS
144650-93-1
Created by admin on Sat Dec 16 19:53:47 GMT 2023 , Edited by admin on Sat Dec 16 19:53:47 GMT 2023
PRIMARY
FDA UNII
5EUQ7PWP2M
Created by admin on Sat Dec 16 19:53:47 GMT 2023 , Edited by admin on Sat Dec 16 19:53:47 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE