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Substance Name: Trodat 1 (Tc-99m)
RN: 184677-53-0
UNII: ULU42WOC7I
InChIKey: YZMUWLYZSRVFLE-GNCDZRFCSA-L

Molecular Formula

  • C21-H31-Cl-N3-S2.O.Tc

Molecular Weight

  • 539.0733
 
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Names and Synonyms

Name of Substance

  • Trodat 1 (Tc-99m)

Synonyms

  • Tc-99m Trodat-1
  • Technetium-99 trodat 1
  • Technetium-99Tc, (2-((2-((((1R,2R,3S,5S)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo(3.2.1)oct-2-yl)methyl)(2-(mercapto-kappaS)ethyl)amino-kappaN)ethyl)amino-kappaN)ethanethiolato(3-)-kappaS)oxo-, (sp-5-35)-
  • Technitium Tc-99m 2-((2-(((3-(4-chlorophenyl)-8-methyl-8-azabicyclo(3.2.1)oct-2-yl)methyl)(2-mercaptoethyl)amino)ethyl)amino)ethanethiol (1R-(exo-exo))
  • Trodat 1 (Tc-99m)
  • UNII-ULU42WOC7I

Registry Numbers

CAS Registry Number

  • 184677-53-0

FDA UNII

  • ULU42WOC7I

System Generated Number

  • 0184677530

Structure Descriptors

InChI

1S/C21H33ClN3S2.O.Tc/c1-24-18-6-7-21(24)20(15-25(11-13-27)10-8-23-9-12-26)19(14-18)16-2-4-17(22)5-3-16;;/h2-5,18-21,26-27H,6-15H2,1H3;;/q-1;-2;+5/p-2/t18-,19+,20-,21+;;/m0../s1

InChIKey

YZMUWLYZSRVFLE-GNCDZRFCSA-L

Smiles

[O-2].[Tc+5].CN1[C@H]2CC[C@@H]1[C@@H](CN(CC[S-])CC[N-]CC[S-])[C@H](C2)c3ccc(Cl)cc3