Catalog Number:
AG000K54
Chemical Name:
Abemaciclib methanesulfonate
CAS Number:
1231930-82-7
Molecular Formula:
C28H36F2N8O3S
Molecular Weight:
602.6990
MDL Number:
MFCD25562906
IUPAC Name:
N-[5-[(4-ethylpiperazin-1-yl)methyl]pyridin-2-yl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine;methanesulfonic acid
InChI:
InChI=1S/C27H32F2N8.CH4O3S/c1-5-35-8-10-36(11-9-35)16-19-6-7-24(30-14-19)33-27-31-15-22(29)25(34-27)20-12-21(28)26-23(13-20)37(17(2)3)18(4)32-26;1-5(2,3)4/h6-7,12-15,17H,5,8-11,16H2,1-4H3,(H,30,31,33,34);1H3,(H,2,3,4)
InChI Key:
NCJPFQPEVDHJAZ-UHFFFAOYSA-N
SMILES:
CS(=O)(=O)O.CCN1CCN(CC1)Cc1ccc(nc1)Nc1ncc(c(n1)c1cc(F)c2c(c1)n(C(C)C)c(n2)C)F
UNII:
KKT462Q807
