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Substance Name: 2-(4-Isothiocyanatobenzyl)-6-methyldiethylenetriaminepentaacetic acid
RN: 141849-44-7
InChIKey: XKWMWKSTOBNCPW-UHFFFAOYSA-N

Note

  • A bifunctional chelating agent.

Molecular Formula

  • C23-H30-N4-O5-S

Molecular Weight

  • 474.579
 
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Names and Synonyms

Name of Substance

  • 2-(4-Isothiocyanatobenzyl)-6-methyldiethylenetriaminepentaacetic acid

Synonyms

  • 1b4M-DTPA
  • 2-(p-Scn-Bz)-6-methyl-dtpa
  • MX-DTPA

Systematic Name

  • Acetamide, N-(2-(diacetylamino)-3-(4-isocyanatophenyl)propyl)-N-(2-(diacetylamino)propyl)-

Registry Numbers

CAS Registry Number

  • 141849-44-7

System Generated Number

  • 0141849447

Structure Descriptors

InChI

1S/C23H30N4O5S/c1-15(26(17(3)29)18(4)30)12-25(16(2)28)13-23(27(19(5)31)20(6)32)11-21-7-9-22(10-8-21)24-14-33/h7-10,15,23H,11-13H2,1-6H3

InChIKey

XKWMWKSTOBNCPW-UHFFFAOYSA-N

Smiles

CC(CN(CC(Cc1ccc(cc1)N=C=S)N(C(=O)C)C(=O)C)C(=O)C)N(C(=O)C)C(=O)C