Catalog Number:
AG008TEI
Chemical Name:
BEZ235 Tosylate
CAS Number:
1028385-32-1
Molecular Formula:
C37H31N5O4S
Molecular Weight:
641.7381
MDL Number:
MFCD22124509
IUPAC Name:
4-methylbenzenesulfonic acid;2-methyl-2-[4-(3-methyl-2-oxo-8-quinolin-3-ylimidazo[4,5-c]quinolin-1-yl)phenyl]propanenitrile
InChI:
InChI=1S/C30H23N5O.C7H8O3S/c1-30(2,18-31)22-9-11-23(12-10-22)35-28-24-15-19(21-14-20-6-4-5-7-25(20)32-16-21)8-13-26(24)33-17-27(28)34(3)29(35)36;1-6-2-4-7(5-3-6)11(8,9)10/h4-17H,1-3H3;2-5H,1H3,(H,8,9,10)
InChI Key:
FWURTHAUPVXZHW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.N#CC(c1ccc(cc1)n1c(=O)n(c2c1c1cc(ccc1nc2)c1cnc2c(c1)cccc2)C)(C)C
UNII:
U54GT9151S
NSC Number:
753146
