Catalog Number:
AG003A7S
Chemical Name:
Nilotinib hcl monohydrate
CAS Number:
923288-90-8
Molecular Formula:
C28H25ClF3N7O2
Molecular Weight:
583.9920
MDL Number:
MFCD16038432
IUPAC Name:
4-methyl-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]benzamide;hydrate;hydrochloride
InChI:
InChI=1S/C28H22F3N7O.ClH.H2O/c1-17-5-6-19(10-25(17)37-27-33-9-7-24(36-27)20-4-3-8-32-14-20)26(39)35-22-11-21(28(29,30)31)12-23(13-22)38-15-18(2)34-16-38;;/h3-16H,1-2H3,(H,35,39)(H,33,36,37);1H;1H2
InChI Key:
YCBPQSYLYYBPDW-UHFFFAOYSA-N
SMILES:
Cc1ncn(c1)c1cc(NC(=O)c2ccc(c(c2)Nc2nccc(n2)c2cccnc2)C)cc(c1)C(F)(F)F.O.Cl
UNII:
5JHU0N1R6K
