Analyte Name

2,2'-(4,10-bis(1,3,4-Trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetic Acid Tetrahydrochloride

CAS Number

2514736-59-3

Molecular Formula

C20H40N4O10 • 4(HCl)

Molecular Weight

642.39

Accurate Mass

640.19

SMILES

O=C(CN1CCN(CCN(CCN(CC1)C(CO)C(O)CO)CC(O)=O)C(CO)C(O)CO)O.Cl.Cl.Cl.Cl

InChI

InChI=1S/C20H40N4O10.4ClH/c25-11-15(17(29)13-27)23-5-1-21(9-19(31)32)2-6-24(16(12-26)18(30)14-28)8-4-22(3-7-23)10-20(33)34;;;;/h15-18,25-30H,1-14H2,(H,31,32)(H,33,34);4*1H

IUPAC

2,2'-(4,10-bis(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,7-diyl)diacetic acid tetrahydrochloride

Alternate CAS Number

Free Acid: 2514736-58-2

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Impurity

Product Format

Neat