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Substance Name: Nitrobenzyl-DOTA
RN: 123317-51-1
InChIKey: SQWOBSHRAUJBNP-UHFFFAOYSA-N

Molecular Formula

  • C23-H33-N5-O10

Molecular Weight

  • 539.539
 
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Names and Synonyms

Results Name

  • Nitrobenzyl-DOTA

Name of Substance

  • 2-(4-Nitrobenzyl)-1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid

Synonyms

  • 2-((4-Nitrophenyl)methyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid
  • Nitrobenzyl-DOTA

Systematic Name

  • 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-((4-nitrophenyl)methyl)-

Registry Numbers

CAS Registry Number

  • 123317-51-1

System Generated Number

  • 0123317511

Structure Descriptors

InChI

1S/C23H33N5O10/c29-20(30)13-24-5-6-25(14-21(31)32)9-10-27(16-23(35)36)19(12-26(8-7-24)15-22(33)34)11-17-1-3-18(4-2-17)28(37)38/h1-4,19H,5-16H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)

InChIKey

SQWOBSHRAUJBNP-UHFFFAOYSA-N

Smiles

C1[C@@H]([N@@](CC[N@@](CC[N@@](CC[N@@]1CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)Cc1ccc(cc1)[N+](=O)[O-]