Magnevist

CAS Registry Number®

86050-77-3
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CAS Name

Magnevist

Molecular Formula

C14H18GdN3O10.2C7H17NO5.2H

Cite this Page

Magnevist.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=86050-77-3 (retrieved 2022-10-06) (CAS RN: 86050-77-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C14H23N3O10.C7H17NO5.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;1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);4-13H,2-3H2,1H3;/q;;+3/p-3/t;4-,5+,6+,7+;/m.0./s1

InChIKey

InChIKey=LZQIEMULHFPUQY-BMWGJIJESA-K

SMILES

[C@H]([C@@H]([C@@H](CO)O)O)([C@H](CNC)O)O.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.OCC(O)C(O)C(O)C(O)CNC

Other Names for this Substance

  • D-Glucitol, 1-deoxy-1-(methylamino)-, [N,N-bis[2-[bis[(carboxy-κO)methyl]amino-κN]ethyl]glycinato(5-)-κNO]gadolinate(2-) (2:1)
  • D-Glucitol, 1-deoxy-1-(methylamino)-, [N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]gadolinate(2-) (2:1)
  • Glycine, N,N-bis[2-[bis(carboxymethyl)amino]ethyl]-, gadolinium complex
  • Gadolinate(2-), [N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]-, dihydrogen, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:2)
  • Gadolinate(2-), [N,N-bis[2-[bis[(carboxy-κO)methyl]amino-κN]ethyl]glycinato(5-)-κNO]-, dihydrogen, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:2)

Deleted or Replaced CAS Registry Numbers

109998-46-1, 205589-92-0