Catalog Number:
AG00EM0A
Chemical Name:
BAY 58-2667 hydrochloride
CAS Number:
646995-35-9
Molecular Formula:
C36H40ClNO5
Molecular Weight:
602.1595
MDL Number:
MFCD28127267
IUPAC Name:
4-[[4-carboxybutyl-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid;hydrochloride
InChI:
InChI=1S/C36H39NO5.ClH/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28;/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41);1H
InChI Key:
LLHMBJOVHATVSP-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCN(Cc1ccc(cc1)C(=O)O)CCc1ccccc1OCc1ccc(cc1)CCc1ccccc1.Cl
