Gd-DTPA

CAS Registry Number®

80529-93-7
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CAS Name

Gd-DTPA

Molecular Formula

C14H18GdN3O10.2H

Cite this Page

Gd-DTPA.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=80529-93-7 (retrieved 2024-04-27) (CAS RN: 80529-93-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H23N3O10.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);/q;+3/p-3

InChIKey

InChIKey=IZOOGPBRAOKZFK-UHFFFAOYSA-K

SMILES

O=C1[O-][Gd+3]234567[N](CC(=O)[O-]2)(CC(=O)[O-]3)CC[N]4(C1)CC[N]5(CC(=O)[O-]6)CC(=O)[O-]7.[H+]

Canonical SMILES

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

Other Names for this Substance

  • Gadolinate(2-), [N,N-bis[2-[bis[(carboxy-κO)methyl]amino-κN]ethyl]glycinato(5-)-κN,κO]-, hydrogen (1:2)
  • Gadolinate(2-), [N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]-, dihydrogen
  • Gadolinate(2-), [N,N-bis[2-[bis[(carboxy-κO)methyl]amino-κN]ethyl]glycinato(5-)-κN,κO]-, dihydrogen
  • Glycine, N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-, gadolinium complex
  • Gadopentetic acid

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Deleted or Replaced CAS Registry Numbers

104676-51-9, 105332-91-0, 106228-95-9, 109998-45-0, 113427-21-7, 94552-93-9

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