Gadoterate meglumine

CAS Registry Number®

92943-93-6

CAS Name

Gadoterate meglumine

Molecular Formula

C16H24GdN4O8.C7H17NO5.H

Cite this Page

Gadoterate meglumine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=92943-93-6 (retrieved 2024-11-22) (CAS RN: 92943-93-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H28N4O8.C7H17NO5.Gd/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26;1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);4-13H,2-3H2,1H3;/q;;+3/p-3/t;4-,5+,6+,7+;/m.0./s1

InChIKey

InChIKey=RYHQMKVRYNEBNJ-BMWGJIJESA-K

SMILES

O=C1[O-][Gd+3]234567[N]8(CC(=O)[O-]2)CC[N]3(C1)CC[N]4(CC(=O)[O-]5)CC[N]6(CC(=O)[O-]7)CC8.[H+].[C@H]([C@@H]([C@@H](CO)O)O)([C@H](CNC)O)O

Canonical SMILES

[H+].O=C1[O-][Gd+3]234567[O-]C(=O)C[N]87CC[N]6(C1)CC[N]5(CC(=O)[O-]2)CC[N]4(CC(=O)[O-]3)CC8.OCC(O)C(O)C(O)C(O)CNC

Other Names for this Substance

  • D-Glucitol, 1-deoxy-1-(methylamino)-, [1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-κN1,κN4,κN7,κN10,κO1,κO4,κO7,κO10]gadolinate(1-) (1:1)
  • D-Glucitol, 1-deoxy-1-(methylamino)-, [1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-N1,N4,N7,N10,O1,O4,O7,O10]gadolinate(1-)
  • D-Glucitol, 1-deoxy-1-(methylamino)-, [1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-κN1,κN4,κN7,κN10,κO1,κO4,κO7,κO10]gadolinate(1-)
  • 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, gadolinium complex
  • Gadolinate(1-), [1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-N1,N4,N7,N10,O1,O4,O7,O10]-, hydrogen, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)

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Deleted or Replaced CAS Registry Numbers

205589-93-1

CAS INSIGHTSTM
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