Gadoteridol

CAS Registry Number®

120066-54-8
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CAS Name

Gadoteridol

Molecular Formula

C17H29GdN4O7

Cite this Page

Gadoteridol.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=120066-54-8 (retrieved 2024-05-20) (CAS RN: 120066-54-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C17H32N4O7.Gd/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26;/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28);/q;+3/p-3

InChIKey

InChIKey=DPNNNPAKRZOSMO-UHFFFAOYSA-K

SMILES

CC1[OH][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

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)CC([OH]3)C

Other Names for this Substance

  • Gadolinium, [10-[2-(hydroxy-κO)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-κN1N4N7N10O1O4O7]-
  • Gadolinium, [10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-N1,N4,N7,N10,O1,O4,O7,O10]-
  • 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, 10-(2-hydroxypropyl)-, gadolinium complex
  • 1,4,7,10-Tetraazacyclododecane, gadolinium deriv.
  • [10-[2-(Hydroxy-κO)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-κN1N4N7N10O1O4O7]gadolinium

Deleted or Replaced CAS Registry Numbers

909570-46-3

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