Catalog Number:
AG00ABJT
Chemical Name:
Dofequidar fumarate
CAS Number:
153653-30-6
Molecular Formula:
C34H35N3O7
Molecular Weight:
597.6576
MDL Number:
MFCD00925095
IUPAC Name:
(E)-but-2-enedioic acid;1-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-2,2-diphenylethanone
InChI:
InChI=1S/C30H31N3O3.C4H4O4/c34-25(22-36-28-15-7-14-27-26(28)13-8-16-31-27)21-32-17-19-33(20-18-32)30(35)29(23-9-3-1-4-10-23)24-11-5-2-6-12-24;5-3(6)1-2-4(7)8/h1-16,25,29,34H,17-22H2;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChI Key:
QIAVTDQTRFYXSD-WLHGVMLRSA-N
SMILES:
OC(CN1CCN(CC1)C(=O)C(c1ccccc1)c1ccccc1)COc1cccc2c1cccn2.OC(=O)/C=C/C(=O)O
