Calcobutrol Sodium

CAT No.

ALN-C129001

CAS No.

Mol. F.

C18H31N4O9 : 3Na

Mol. Wt.

447.5 : 3(23.0)

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Product Overview

Chemical Name : 10-[(1R,2S)-2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic Acid Sodium Salt

Smiles : O=C([O-])CN1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN([C@H](CO)[C@H](O)CO)CC1.[Na+].[Na+].[Na+]

Inchi : InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11-/t15-,17+,20-,21-,22-,24?,27+/m0/s1

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