Gadodiamide

CAS Registry Number®

131410-48-5
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CAS Name

Gadodiamide

Molecular Formula

C16H26GdN5O8

Cite this Page

Gadodiamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=131410-48-5 (retrieved 2024-06-19) (CAS RN: 131410-48-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H29N5O8.Gd/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);/q;+3/p-3

InChIKey

InChIKey=HZHFFEYYPYZMNU-UHFFFAOYSA-K

SMILES

N(C)C1=O[Gd+3]234567[N](CC[N]2(C1)CC(=O)[O-]3)(CC[N]4(CC(NC)=O5)CC(=O)[O-]6)CC(=O)[O-]7

Canonical SMILES

O=C1[O-][Gd+3]234567O=C(NC)C[N]7(C1)CC[N]6(CC(=O)[O-]2)CC[N]5(CC(=O)[O-]3)CC(=O4)NC

Other Names for this Substance

  • Gadolinium, [5,8-bis[(carboxy-κO)methyl]-11-[2-(methylamino)-2-(oxo-κO)ethyl]-3-(oxo-κO)-2,5,8,11-tetraazatridecan-13-oato(3-)-κN5N8N11O13]-
  • Gadolinium, [5,8-bis(carboxymethyl)-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetraazatridecan-13-oato(3-)]-
  • 2,5,8,11-Tetraazatridecan-13-oic acid, 5,8-bis(carboxymethyl)-11-[2-(methylamino)-2-oxoethyl]-3-oxo-, gadolinium complex
  • [5,8-Bis[(carboxy-κO)methyl]-11-[2-(methylamino)-2-(oxo-κO)ethyl]-3-(oxo-κO)-2,5,8,11-tetraazatridecan-13-oato(3-)-κN5N8N11O13]gadolinium
  • S 041

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