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acamprosate calcium

Properties

Image

Occurences in reactions

MNX_ID

MNXM102327

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₀H₂₀CaN₂O₈S₂

charge

mass

400.0287

reference

InChIKey

BUVGWDNTAWHSKI-UHFFFAOYSA-L

InChI

InChI=1S/2C5H11NO4S.Ca/c2*1-5(7)6-3-2-4-11(8,9)10;/h2*2-4H2,1H3,(H,6,7)(H,8,9,10);/q;;+2/p-2

SMILES

CC(=O)NCCCS(=O)(=O)[O-].CC(=O)NCCCS(=O)(=O)[O-].[Ca+2]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:51042 chebi:51042	acamprosate calcium 1-Propanesulfonic acid, 3-(acetylamino)-, calcium salt (2:1) Calcium 3-(acetylamino)propane-1-sulfonate calcium bis(3-acetamidopropane-1-sulfonate)
kegg.drug:D02780 keggD:D02780	Acamprosate calcium (JAN/USAN) Campral (TN) Regtect (TN)
keggD:M_D02780	secondary/obsolete/fantasy identifier