Catalog Number:
AG003AUL
Chemical Name:
Ro 25-6981 Maleate
CAS Number:
1312991-76-6
Molecular Formula:
C26H33NO6
Molecular Weight:
455.5433
MDL Number:
MFCD06798375
IUPAC Name:
4-[(1R,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol;(Z)-but-2-enedioic acid
InChI:
InChI=1S/C22H29NO2.C4H4O4/c1-17(22(25)20-7-9-21(24)10-8-20)16-23-13-11-19(12-14-23)15-18-5-3-2-4-6-18;5-3(6)1-2-4(7)8/h2-10,17,19,22,24-25H,11-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t17-,22+;/m0./s1
InChI Key:
FYJZEHCQSUBZDY-SEELMCCHSA-N
SMILES:
C[C@H]([C@H](c1ccc(cc1)O)O)CN1CCC(CC1)Cc1ccccc1.OC(=O)/C=C\C(=O)O
