Gadoversetamide

CAS Registry Number®

131069-91-5

CAS Name

Gadoversetamide

Molecular Formula

C20H34GdN5O10

Cite this Page

Gadoversetamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=131069-91-5 (retrieved 2024-11-21) (CAS RN: 131069-91-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C20H37N5O10.Gd/c1-34-9-3-21-16(26)11-24(14-19(30)31)7-5-23(13-18(28)29)6-8-25(15-20(32)33)12-17(27)22-4-10-35-2;/h3-15H2,1-2H3,(H,21,26)(H,22,27)(H,28,29)(H,30,31)(H,32,33);/q;+3/p-3

InChIKey

InChIKey=HBEAOBRDTOXWRZ-UHFFFAOYSA-K

SMILES

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

Canonical SMILES

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

Other Names for this Substance

  • Gadolinium, [6,9-bis[(carboxy-κO)methyl]-3-[2-[(2-methoxyethyl)amino]-2-(oxo-κO)ethyl]-11-(oxo-κO)-15-oxa-3,6,9,12-tetraazahexadecanoato(3-)-κN3,κN6,κN9,κO1]-
  • Gadolinium, [8,11-bis[(carboxy-κO)methyl]-14-[2-[(2-methoxyethyl)amino]-2-(oxo-κO)ethyl]-6-(oxo-κO)-2-oxa-5,8,11,14-tetraazahexadecan-16-oato(3-)-κN8,κN11,κN14,κO16]-
  • Gadolinium, [8,11-bis(carboxymethyl)-14-[2-[(2-methoxyethyl)amino]-2-oxoethyl]-6-oxo-2-oxa-5,8,11,14-tetraazahexadecan-16-oato(3-)]-
  • 2-Oxa-5,8,11,14-tetraazahexadecan-16-oic acid, 8,11-bis(carboxymethyl)-14-[2-[(2-methoxyethyl)amino]-2-oxoethyl]-6-oxo-, gadolinium complex
  • [6,9-Bis[(carboxy-κO)methyl]-3-[2-[(2-methoxyethyl)amino]-2-(oxo-κO)ethyl]-11-(oxo-κO)-15-oxa-3,6,9,12-tetraazahexadecanoato(3-)-κN3,κN6,κN9,κO1]gadolinium

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CAS INSIGHTSTM
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