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Substance Name: p-SCN-Benzyl-dtpa
RN: 121806-83-5
UNII: 2AB2W7T690
InChIKey: VAOYPHGXHKUTHC-UHFFFAOYSA-N

Molecular Formula

  • C22-H28-N4-O10-S

Molecular Weight

  • 540.5472
 
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Names and Synonyms

Name of Substance

  • p-SCN-Benzyl-dtpa

Synonyms

  • 1-(p-Isothiocyanate benzyl)diethylenetriamine pentaacetic acid
  • Citc-dtpa
  • Glycine, N-(2-(bis(carboxymethyl)amino)ethyl)-N-(2-(bis(carboxymethyl)amino)-3-(4-isothiocyanatophenyl)propyl)-
  • p-SCN-Benzyl-dtpa
  • UNII-2AB2W7T690

Registry Numbers

CAS Registry Number

  • 121806-83-5

FDA UNII

  • 2AB2W7T690

System Generated Number

  • 0121806835

Structure Descriptors

InChI

1S/C22H28N4O10S/c27-18(28)9-24(5-6-25(10-19(29)30)11-20(31)32)8-17(26(12-21(33)34)13-22(35)36)7-15-1-3-16(4-2-15)23-14-37/h1-4,17H,5-13H2,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)

InChIKey

VAOYPHGXHKUTHC-UHFFFAOYSA-N

Smiles

c1cc(ccc1CC(CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O)N=C=S