3-(10,11-DIHYDRO-5H-DIBENZO(A,D)CYCLOHEPTEN-5-YLOXY)TROPANE-8-ACETONITRILE HYDROGENMALEATE

16136-23-5

MFCD01750727

C24 H26 N2 . C4 H4 O4

458.555

InChI=1S/C24H26N2.C4H4O4/c25-13-14-26-20-11-12-21(26)16-19(15-20)24-22-7-3-1-5-17(22)9-10-18-6-2-4-8-23(18)24;5-3(6)1-2-4(7)8/h1-8,19-21,24H,9-12,14-16H2;1-2H,(H,5,6)(H,7,8)/b;2-1-/t19?,20-,21+;

InChIKey=KLTWXNVGGKUFEU-IDDYGBOWSA-N

c1ccc2c(c1)CCc3ccccc3C2C4C[C@H]5CC[C@@H](C4)N5CC#N.C(=C\C(=O)O)\C(=O)O

pro_donors:0

pro_acceptors:2

XLogP3:5.0

Bulk/Fine:F