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CHEBI:31193 - Aluminoparaaminosalicylate calcium

ChEBI IDCHEBI:31193
ChEBI NameAluminoparaaminosalicylate calcium
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaAl.2C7H5NO3.Ca.H2O.HO
Net Charge0
Average Mass404.324
Monoisotopic Mass404.01132
SMILESNc1ccc(C(=O)[O-])c([O-])c1.Nc1ccc(C(=O)[O-])c([O-])c1.O.[Al+3].[Ca+2].[OH-]
InChIInChI=1S/2C7H7NO3.Al.Ca.2H2O/c2*8-4-1-2-5(7(10)11)6(9)3-4;;;;/h2*1-3,9H,8H2,(H,10,11);;;2*1H2/q;;+3;+2;;/p-5
InChIKeyPXYWZCMRSWPOAX-UHFFFAOYSA-I
ChEBI Ontology
Outgoing Relation(s)
Aluminoparaaminosalicylate calcium (CHEBI:31193) is a polymer (CHEBI:60027)
Synonyms  Source
Aluminoparaaminosalicylate calciumKEGG COMPOUND
Alumino-p-aminosalicylic acid calcium saltKEGG COMPOUND
Manual XrefsDatabases
C13104KEGG COMPOUND
Registry NumbersSources
CAS:14641-21-5KEGG COMPOUND