Substance
  • Substance Name: iohexol
  • Formula: C19H26I3N3O9
  • Molecular Weight: 821.1 g/mol
  • Identifiers:
    • inchi: InChI=1S/C19H26I3N3O9/c1-8(29)25(4-11(32)7-28)17-15(21)12(18(33)23-2-9(30)5-26)14(20)13(16(17)22)19(34)24-3-10(31)6-27/h9-11,26-28,30-32H,2-7H2,1H3,(H,23,33)(H,24,34)
    • inchikey: NTHXOOBQLCIOLC-UHFFFAOYSA-N
    • casrn: 66108-95-0
    • csmiles: CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I
    • ismiles: CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I
    • pubchemId: 3730
    • iupacname: 5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
    • wikidataId: Q410683
    • chemspiderId: 21234393
    • dsstoxcmpId: DTXCID803157
    • chemblId: CHEMBL1200455
    • ecnumber: 266-164-2
iohexol
Systems and Datasets