Catalog Number:
AG009CCM
Chemical Name:
LDE225 Diphosphate
CAS Number:
1218778-77-8
Molecular Formula:
C26H32F3N3O11P2
Molecular Weight:
681.4885
MDL Number:
MFCD16627994
IUPAC Name:
N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide;phosphoric acid
InChI:
InChI=1S/C26H26F3N3O3.2H3O4P/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29;2*1-5(2,3)4/h4-13,16-17H,14-15H2,1-3H3,(H,31,33);2*(H3,1,2,3,4)/t16-,17+;;
InChI Key:
RWIVSVMMGFFZIJ-VWDRLOGHSA-N
SMILES:
OP(=O)(O)O.OP(=O)(O)O.C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F
UNII:
W421AI34UW
