Analyte Name

Disodium 5-((2R)-2-(((2R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)-1,3-benzodioxole-2,2-dicarboxylate

CAS Number

138908-40-4

Molecular Formula

C20 H18 Cl N O7 . 2 Na

Molecular Weight

465.792

Accurate Mass

465.057

SMILES

[Na+].[Na+].C[C@H](Cc1ccc2OC(Oc2c1)(C(=O)[O-])C(=O)[O-])NC[C@H](O)c3cccc(Cl)c3

InChI

InChI=1S/C20H20ClNO7.2Na/c1-11(22-10-15(23)13-3-2-4-14(21)9-13)7-12-5-6-16-17(8-12)29-20(28-16,18(24)25)19(26)27;;/h2-6,8-9,11,15,22-23H,7,10H2,1H3,(H,24,25)(H,26,27);;/q;2*+1/p-2/t11-,15+;;/m1../s1

IUPAC

disodium;5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylate

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat