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Details

Stereochemistry ACHIRAL
Molecular Formula 2C6H12NO4S.Ca
Molecular Weight 428.536
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Calcium 3-(N-methylacetamido)propane-1-sulfonate

SMILES

[Ca++].CN(CCCS([O-])(=O)=O)C(C)=O.CN(CCCS([O-])(=O)=O)C(C)=O

InChI

InChIKey=JTVRLZRFSWNWAR-UHFFFAOYSA-L
InChI=1S/2C6H13NO4S.Ca/c2*1-6(8)7(2)4-3-5-12(9,10)11;/h2*3-5H2,1-2H3,(H,9,10,11);/q;;+2/p-2

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
Calcium 3-(N-methylacetamido)propane-1-sulfonate
Systematic Name English
1-Propanesulfonic acid, 3-(acetylmethylamino)-, calcium salt
Preferred Name English
1-Propanesulfonic acid, 3-(acetylmethylamino)-, calcium salt (2:1)
Systematic Name English
3-(Acetylmethylamino)-1-propanesulfonic acid calcium salt
Systematic Name English
Code System Code Type Description
PUBCHEM
21180948
Created by admin on Wed Apr 02 17:09:46 GMT 2025 , Edited by admin on Wed Apr 02 17:09:46 GMT 2025
PRIMARY
FDA UNII
S9L62W4868
Created by admin on Wed Apr 02 17:09:46 GMT 2025 , Edited by admin on Wed Apr 02 17:09:46 GMT 2025
PRIMARY
CAS
233591-26-9
Created by admin on Wed Apr 02 17:09:46 GMT 2025 , Edited by admin on Wed Apr 02 17:09:46 GMT 2025
PRIMARY
NIH
NCATS
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