Catalog Number:
AG009CE7
Chemical Name:
PF-543 Citrate
CAS Number:
1415562-83-2
Molecular Formula:
C33H39NO11S
Molecular Weight:
657.7279
MDL Number:
MFCD23098795
IUPAC Name:
[(2R)-1-[[4-[[3-(benzenesulfonylmethyl)-5-methylphenoxy]methyl]phenyl]methyl]pyrrolidin-2-yl]methanol;2-hydroxypropane-1,2,3-tricarboxylic acid
InChI:
InChI=1S/C27H31NO4S.C6H8O7/c1-21-14-24(20-33(30,31)27-7-3-2-4-8-27)16-26(15-21)32-19-23-11-9-22(10-12-23)17-28-13-5-6-25(28)18-29;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-4,7-12,14-16,25,29H,5-6,13,17-20H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t25-;/m1./s1
InChI Key:
PWXXWUWKNPXSGW-VQIWEWKSSA-N
SMILES:
OC(=O)CC(C(=O)O)(CC(=O)O)O.OCC1CCCN1Cc1ccc(cc1)COc1cc(C)cc(c1)CS(=O)(=O)c1ccccc1
