Analyte Name

Dibaclofen(R,R) Urea Dicyclohexylammonium

Molecular Formula

C45H68Cl2N4O5.C24H48N22

Molecular Weight

815.96

Accurate Mass

814.46

SMILES

ClC1=CC=C([C@@H](CC([O-])=O)CNC(NC[C@H](CC([O-])=O)C2=CC=C(Cl)C=C2)=O)C=C1.C3(CCCCC3)[NH2+]C4CCCCC4.C5(CCCCC5)[NH2+]C6CCCCC6

InChI

InChI=1S/C21H22Cl2N2O5.2C12H23N/c22-17-5-1-13(2-6-17)15(9-19(26)27)11-24-21(30)25-12-16(10-20(28)29)14-3-7-18(23)8-4-14;2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-8,15-16H,9-12H2,(H,26,27)(H,28,29)(H2,24,25,30);2*11-13H,1-10H2/t15-,16-;;/m0../s1

IUPAC

Dicyclohexylammonium (3R,3'R)-4,4'-(Carbonylbis(azanediyl))bis(3-(4-chlorophenyl)butanoate)

Country of Origin

CANADA

Product Format

Neat