Gadolinate(2-), [N-[(2S)-2-[bis[(carboxy-κO)methyl]amino-κN]-3-(4-ethoxyphenyl)propyl]-N-[2-[bis[(carboxy-κO)methyl]amino-κN]ethyl]glycinato(5-)-κN,κO]-, hydrogen (1:2), (SA-8-11252634)-

CAS Registry Number®

135326-11-3
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CAS Name

Gadolinate(2-), [N-[(2S)-2-[bis[(carboxy-κO)methyl]amino-κN]-3-(4-ethoxyphenyl)propyl]-N-[2-[bis[(carboxy-κO)methyl]amino-κN]ethyl]glycinato(5-)-κN,κO]-, hydrogen (1:2), (SA-8-11252634)-

Molecular Formula

C23H28GdN3O11.2H

Cite this Page

Gadolinate(2-), [N-[(2S)-2-[bis[(carboxy-κO)methyl]amino-κN]-3-(4-ethoxyphenyl)propyl]-N-[2-[bis[(carboxy-κO)methyl]amino-κN]ethyl]glycinato(5-)-κN,κO]-, hydrogen (1:2), (SA-8-11252634)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=135326-11-3 (retrieved 2024-04-19) (CAS RN: 135326-11-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H33N3O11.Gd/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32;/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36);/q;+3/p-3

InChIKey

InChIKey=PCZHWPSNPWAQNF-UHFFFAOYSA-K

SMILES

C(C1[N]23[Gd+3]4567([N](C1)(CC[N]4(CC(=O)[O-]5)CC(=O)[O-]6)CC(=O)[O-]7)([O-]C(=O)C2)[O-]C(=O)C3)C8=CC=C(OCC)C=C8.[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(CC8=CC=C(OCC)C=C8)[N]5(CC(=O)[O-]3)CC(=O)[O-]4

Other Names for this Substance

  • Gadolinate(2-), [N-[(2S)-2-[bis[(carboxy-κO)methyl]amino-κN]-3-(4-ethoxyphenyl)propyl]-N-[2-[bis[(carboxy-κO)methyl]amino-κN]ethyl]glycinato(5-)-κN,κO]-, hydrogen (1:2), (SA-8-11252634)-
  • Gadolinate(2-), [N-[2-[bis(carboxymethyl)amino]-3-(4-ethoxyphenyl)propyl]-N-[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]-, dihydrogen, [SA-8-11252634-(S)]-
  • Gadolinate(2-), [N-[(2S)-2-[bis[(carboxy-κO)methyl]amino-κN]-3-(4-ethoxyphenyl)propyl]-N-[2-[bis[(carboxy-κO)methyl]amino-κN]ethyl]glycinato(5-)-κN,κO]-, dihydrogen, (SA-8-11252634)-
  • Glycine, N-[2-[bis(carboxymethyl)amino]-3-(4-ethoxyphenyl)propyl]-N-[2-[bis(carboxymethyl)amino]ethyl]-, gadolinium complex
  • Dihydrogen [N-[(2S)-2-[Bis(carboxymethyl)amino]-3-(p-ethoxyphenyl)propyl]-N-[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]gadolinate(2-)

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