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Substance Name: (p-SCN-Bn)-dota
RN: 127985-74-4
UNII: 13KT123BYW
InChIKey: UDOPJKHABYSVIX-UHFFFAOYSA-N

Molecular Formula

  • C24-H33-N5-O8-S

Molecular Weight

  • 551.6177
 
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Names and Synonyms

Name of Substance

  • (p-SCN-Bn)-dota

Synonyms

  • (p-SCN-Bn)-dota
  • 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-((4-isothiocyanatophenyl)methyl)-
  • p-SCN-Bz-dota
  • UNII-13KT123BYW

Registry Numbers

CAS Registry Number

  • 127985-74-4

FDA UNII

  • 13KT123BYW

System Generated Number

  • 0127985744

Structure Descriptors

InChI

1S/C24H33N5O8S/c30-21(31)13-26-5-6-27(14-22(32)33)9-10-29(16-24(36)37)20(12-28(8-7-26)15-23(34)35)11-18-1-3-19(4-2-18)25-17-38/h1-4,20H,5-16H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)

InChIKey

UDOPJKHABYSVIX-UHFFFAOYSA-N

Smiles

c1cc(ccc1CC2CN(CCN(CCN(CCN2CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)N=C=S