Substance
  • Substance Name: sodium ibuprofen
  • Formula: C13H17NaO2
  • Molecular Weight: 228.26 g/mol
  • Identifiers:
    • inchi: InChI=1S/C13H18O2.Na/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);/q;+1/p-1
    • inchikey: PTTPUWGBPLLBKW-UHFFFAOYSA-M
    • csmiles: CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].[Na+]
    • ismiles: CC(C)CC1=CC=C(C=C1)C(C)C(=O)[O-].[Na+]
    • pubchemId: 161696
    • iupacname: sodium;2-[4-(2-methylpropyl)phenyl]propanoate
    • casrn: 31121-93-4
    • wikidataId: Q27285172
    • chemspiderId: 142017
    • dsstoxcmpId: DTXCID2020501
    • chemblId: CHEMBL1241153
    • ecnumber: 250-477-6
sodium ibuprofen
Systems and Datasets