Analyte Name

5-((2R)-2-(((2R)-2-(3-chlorophenyl)-2-hydroxyethyl)amino)propyl)-1,3-benzodioxole-2,2-dicarboxylic acid

CAS Number

183720-02-7

Molecular Formula

C20 H20 Cl N O7

Molecular Weight

421.828

Accurate Mass

421.093

SMILES

C[C@H](Cc1ccc2OC(Oc2c1)(C(=O)O)C(=O)O)NC[C@H](O)c3cccc(Cl)c3

InChI

InChI=1S/C20H20ClNO7/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)/t11-,15+/m1/s1

IUPAC

5-[(2R)-2-[[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1,3-benzodioxole-2,2-dicarboxylic acid

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat