Substance
  • Substance Name: imatinib mesilate
  • Formula: C30H35N7O4S
  • Molecular Weight: 589.7 g/mol
  • Identifiers:
    • inchi: InChI=1S/C29H31N7O.CH4O3S/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36;1-5(2,3)4/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34);1H3,(H,2,3,4)
    • inchikey: YLMAHDNUQAMNNX-UHFFFAOYSA-N
    • casrn: 220127-57-1
    • csmiles: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5.CS(=O)(=O)O
    • ismiles: CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5.CS(=O)(=O)O
    • pubchemId: 123596
    • iupacname: methanesulfonic acid;4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
    • wikidataId: Q27114666
    • chemspiderId: 110189
    • dsstoxcmpId: DTXCID7020502
    • chemblId: CHEMBL1642
    • ecnumber: 606-892-3
imatinib mesilate
Systems and Datasets