CHEBI:31318 - Bufferin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Bufferin
ChEBI ID CHEBI:31318
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C9H8O4.C2H4NO2.CO3.2HO.Al.Mg
Net Charge 0
Average Mass 399.527
Monoisotopic Mass 399.02327
InChI InChI=1S/C9H8O4.C2H5NO2.CH2O3.Al.Mg.2H2O/c1-6(10)13-8-5-3-2-4-7(8)9(11)12;3-1-2(4)5;2-1(3)4;;;;/h2-5H,1H3,(H,11,12);1,3H2,(H,4,5);(H2,2,3,4);;;2*1H2/q;;;+3;+2;;/p-5
InChIKey BRJPWEPTDCKYHE-UHFFFAOYSA-I
SMILES [OH-].[OH-].[Mg++].[Al+3].[O-]C([O-])=O.NCC([O-])=O.CC(=O)Oc1ccccc1C(O)=O
ChEBI Ontology
Outgoing Bufferin (CHEBI:31318) is a organic molecular entity (CHEBI:50860)
Synonyms Sources
Aspirin softam KEGG COMPOUND
Bufferin KEGG COMPOUND
Manual Xref Database
C13400 KEGG COMPOUND
View more database links
Registry Number Type Source
53664-49-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014