Gadobutrol

CAS Registry Number®

770691-21-9

CAS Name

Gadobutrol

Molecular Formula

C18H31GdN4O9

Cite this Page

Gadobutrol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=770691-21-9 (retrieved 2024-11-21) (CAS RN: 770691-21-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1/C18H34N4O9.Gd/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31;/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31);/q;+3/p-3/t14-,15-;/s2

InChIKey

InChIKey=ZPDFIIGFYAHNSK-ZCTZICQLNA-K

SMILES

C(O)[C@H]1[N]23[Gd+3]45678([N](CC2)(CC[N]4(CC[N]5(CC3)CC(=O)[O-]6)CC(=O)[O-]7)CC(=O)[O-]8)[OH][C@@H]1CO

Canonical SMILES

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(CC8)C(CO)C([OH]3)CO

Other Names for this Substance

  • Gadolinium, [rel-10-[(2R,3S)-2-(hydroxy-κO)-3-hydroxy-1-(hydroxymethyl)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-κN1,κN4,κN7,κN10,κO1,κO4,κO7]-, (SA-8-1425362′5′)-
  • Gadolinium, [10-[2-(hydroxy-κO)-3-hydroxy-1-(hydroxymethyl)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-κN1,κN4,κN7,κN10,κO1,κO4,κO7]-, [SA-8-1425362′5′-(R*,S*)]-
  • (SA-8-1425362′5′)-[rel-10-[(2R,3S)-2-(Hydroxy-κO)-3-hydroxy-1-(hydroxymethyl)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-κN1,κN4,κN7,κN10,κO1,κO4,κO7]gadolinium
  • Gadobutrol
  • Gadovist

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Deleted or Replaced CAS Registry Numbers

138071-82-6

CAS INSIGHTSTM
Targeted protein degrader structure, illustration