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CHEBI:751730 - aminosalicylate calcium

Default Structure
ChEBI IDCHEBI:751730
ChEBI Nameaminosalicylate calcium
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaCa.C7H6NO3.C7H6NO3
Net Charge0
Average Mass344.336
Monoisotopic Mass344.03213
SMILESNc1ccc(C(=O)[O-])c(O)c1.Nc1ccc(C(=O)[O-])c(O)c1.[Ca+2]
InChIInChI=1S/2C7H7NO3.Ca/c2*8-4-1-2-5(7(10)11)6(9)3-4;/h2*1-3,9H,8H2,(H,10,11);/q;;+2/p-2
InChIKeyXDWVNCOPMIEDJK-UHFFFAOYSA-L
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
antitubercular agent  A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
Application:
antitubercular agent  A substance that kills or slows the growth of Mycobacterium tuberculosis and is used in the treatment of tuberculosis.
ChEBI Ontology
Outgoing Relation(s)
aminosalicylate calcium (CHEBI:751730) has functional parent salicylic acid (CHEBI:16914)
aminosalicylate calcium (CHEBI:751730) has role antitubercular agent (CHEBI:33231)
aminosalicylate calcium (CHEBI:751730) is a hydroxybenzoic acid (CHEBI:24676)
Synonyms  Source
Aminosalicylate calcium anhydrousChEMBL
Aminosalicylate calcium trihydateChEMBL
Anhydrous calcium aminosalicylateChEMBL
Brand Name  Source
Nippas calciumChEMBL