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
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
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
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL3594 Sources: https://www.ncbi.nlm.nih.gov/pubmed/25019479 |
2.41 µM [IC50] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:00:32 GMT 2023
by
admin
on
Fri Dec 15 18:00:32 GMT 2023
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Record UNII |
713X54F8SW
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Record Status |
Validated (UNII)
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Record Version |
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PARENT -> SALT/SOLVATE |