Gadolinate(1-), [1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-κN1N4N7N10O1O4O7O10]-, hydrogen (1:1)

CAS Registry Number®

72573-82-1
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CAS Name

Gadolinate(1-), [1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-κN1N4N7N10O1O4O7O10]-, hydrogen (1:1)

Molecular Formula

C16H24GdN4O8.H

Cite this Page

Gadolinate(1-), [1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-κN1N4N7N10O1O4O7O10]-, hydrogen (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=72573-82-1 (retrieved 2022-12-02) (CAS RN: 72573-82-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H28N4O8.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;/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3

InChIKey

InChIKey=GFSTXYOTEVLASN-UHFFFAOYSA-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+]

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

Other Names for this Substance

  • Gadolinate(1-), [1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-κN1N4N7N10O1O4O7O10]-, hydrogen (1:1)
  • Gadolinate(1-), [1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-N1,N4,N7,N10,O1,O4,O7,O10]-, hydrogen
  • Gadolinate(1-), [1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetato(4-)-κN1N4N7N10O1O4O7O10]-, hydrogen
  • 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, gadolinium complex
  • 1,4,7,10-Tetraazacyclododecane, gadolinate(1-) deriv.