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Substance Name: Gadoxetic acid [INN]
RN: 135326-11-3
UNII: 3QJA87N40S
InChIKey: PCZHWPSNPWAQNF-LMOVPXPDSA-K

Molecular Formula

  • C23-H30-Gd-N3-O11

Molecular Weight

  • 684.7737
 
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Names and Synonyms

Name of Substance

  • Gadoxetic acid [INN]

Synonyms

  • Dihydrogen (N-((2S)-2-(bis(carboxymethyl)amino)-3-(p-ethoxyphenyl)propyl)-N-(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-))gadolinate(2-)
  • Gadoxetic acid
  • Gd-EOB-DTPA
  • Primovist
  • UNII-3QJA87N40S

Systematic Name

  • Dihydrogen (N((2s)-2-(bis(carboxymethyl)amino)-3-(p-ethoxyphenyl)propyl)-N-(2-(bis(carboxymethyl)amino)ethyl)glycinato(5-)gadolinate(2-).

Registry Numbers

CAS Registry Number

  • 135326-11-3

FDA UNII

  • 3QJA87N40S

System Generated Number

  • 0135326113

Structure Descriptors

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/t17-;/m0./s1

InChIKey

PCZHWPSNPWAQNF-LMOVPXPDSA-K

Smiles

c1(ccc(C[C@H]2C[N@@]3(CC[N](CC([O-])=O)(CC([O-])=O)[Gd+3]3[N]2(CC([O-])=O)CC([O-])=O)CC([O-])=O)cc1)OCC