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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H4NO3S.K.2H2O
Molecular Weight 257.3068
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SACCHARIN POTASSIUM DIHYDRATE

SMILES

c1ccc2c(c1)C(=NS2(=O)=O)[O-].[K+].O.O

InChI

InChIKey=BQKXTQFQNBWDPB-UHFFFAOYSA-M
InChI=1S/C7H5NO3S.K.2H2O/c9-7-5-3-1-2-4-6(5)12(10,11)8-7;;;/h1-4H,(H,8,9);;2*1H2/q;+1;;/p-1

HIDE SMILES / InChI

Molecular Formula K
Molecular Weight 39.0983
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H4NO3S
Molecular Weight 182.1779
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 Jun 26 15:29:18 UTC 2021
Edited
by admin
on Sat Jun 26 15:29:18 UTC 2021
Record UNII
6HUH4NAS7Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SACCHARIN POTASSIUM DIHYDRATE
Common Name English
POTASSIUM SACCHARIN DIHYDRATE
Common Name English
1,2-BENZISOTHIAZOL-3(2H)-ONE, 1,1-DIOXIDE, POTASSIUM SALT, HYDRATE (1:1:2)
Systematic Name English
Code System Code Type Description
FDA UNII
6HUH4NAS7Y
Created by admin on Sat Jun 26 15:29:18 UTC 2021 , Edited by admin on Sat Jun 26 15:29:18 UTC 2021
PRIMARY
PUBCHEM
73425502
Created by admin on Sat Jun 26 15:29:18 UTC 2021 , Edited by admin on Sat Jun 26 15:29:18 UTC 2021
PRIMARY
CAS
292158-09-9
Created by admin on Sat Jun 26 15:29:18 UTC 2021 , Edited by admin on Sat Jun 26 15:29:18 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE