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Details

Stereochemistry ACHIRAL
Molecular Formula 2C4H4NO4S.Ca
Molecular Weight 364.366
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACESULFAME CALCIUM

SMILES

[Ca++].CC1=CC([O-])=NS(=O)(=O)O1.CC2=CC([O-])=NS(=O)(=O)O2

InChI

InChIKey=BSGNIBMMMFYKOB-UHFFFAOYSA-L
InChI=1S/2C4H5NO4S.Ca/c2*1-3-2-4(6)5-10(7,8)9-3;/h2*2H,1H3,(H,5,6);/q;;+2/p-2

HIDE SMILES / InChI

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C4H5NO4S
Molecular Weight 163.152
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
2.41 µM [IC50]
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:00:32 GMT 2023
Edited
by admin
on Fri Dec 15 18:00:32 GMT 2023
Record UNII
713X54F8SW
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ACESULFAME CALCIUM
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID50968888
Created by admin on Fri Dec 15 18:00:32 GMT 2023 , Edited by admin on Fri Dec 15 18:00:32 GMT 2023
PRIMARY
CAS
54054-83-0
Created by admin on Fri Dec 15 18:00:32 GMT 2023 , Edited by admin on Fri Dec 15 18:00:32 GMT 2023
PRIMARY
FDA UNII
713X54F8SW
Created by admin on Fri Dec 15 18:00:32 GMT 2023 , Edited by admin on Fri Dec 15 18:00:32 GMT 2023
PRIMARY
ECHA (EC/EINECS)
258-938-3
Created by admin on Fri Dec 15 18:00:32 GMT 2023 , Edited by admin on Fri Dec 15 18:00:32 GMT 2023
PRIMARY
PUBCHEM
6452935
Created by admin on Fri Dec 15 18:00:32 GMT 2023 , Edited by admin on Fri Dec 15 18:00:32 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE