ERISMODEGIB PHOSPHATE

CAS No.
1218778-77-8
CCD No.
CCD08283996
Formula
C26 H26 F3 N3 O3 . 2 H3 O4 P
MolWeight
681.491

Basic Information

Product Name: ERISMODEGIB PHOSPHATE
CAS: 1218778-77-8
English Synonyms: ERISMODEGIB PHOSPHATE ; LDE225 DIPHOSPHATE
MDL Number.: MFCD23380598
H bond acceptor: 6
H bond donor: 1
Smile: Cc1c(cccc1C(=O)Nc2ccc(nc2)N3C[C@H](O[C@H](C3)C)C)c4ccc(cc4)OC(F)(F)F.OP(=O)(O)O.OP(=O)(O)O
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+;;
InChiKey: InChIKey=RWIVSVMMGFFZIJ-VWDRLOGHSA-N

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