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Chemistry, part 1

Content language

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > organic salt > organic calcium salt > acamprosate calcium
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > alkaline earth salt > calcium salt > organic calcium salt > acamprosate calcium

Preferred term

acamprosate calcium  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C10H20CaN2O8S2
  • (C5H10NO4S)2.Ca

has_part

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

inchikey

  • BUVGWDNTAWHSKI-UHFFFAOYSA-L

mass

  • 400.48448

monoisotopicmass

  • 400.02870

smiles

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

subset

  • 3_STAR

synonym EXACT

  • calcium bis(3-acetamidopropane-1-sulfonate)

synonym RELATED

  • 1-Propanesulfonic acid, 3-(acetylamino)-, calcium salt (2:1)
  • Calcium 3-(acetylamino)propane-1-sulfonate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:51042

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