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Substance Name: CHX-A DTPA
RN: 142434-84-2
InChIKey: QZVREUUCWLULJM-MCOCGALXSA-N

Note

  • Used for (111)Indium labeling of monoclonal antibodies.

Molecular Formula

  • C26-H34-N4-O10-S

Molecular Weight

  • 594.639
 
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Names and Synonyms

Results Name

  • CHX-A DTPA

Name of Substance

  • N-(2-Amino-3-(4-isothiocyanatophenyl)propyl)cyclohexane-1,2-diamine-N,N',N',N'',N''-pentaacetic acid

Synonyms

  • (1alpha(S*),2beta)-(+-)-N-(2-(Bis(carbonymethyl)amino)cyclohexyl)-N-(2-(bis(carboxymethyl)amino)-3-(4-isothiocyanatophenyl)propyl)glycine
  • 2-(p-Isothiocyanatobenzyl)-cyclohexyl-dtpa
  • 2-(p-Scn-Bz)-cyclohexyl-dtpa
  • CHX-A DTPA
  • Chx-A'
  • Scn-Bz-chx-dtpa
  • Scn-chx-B

Systematic Name

  • Glycine, N-(2-(bis(carbonymethyl)amino)cyclohexyl)-N-(2-(bis(carboxymethyl)amino)-3-(4-isothiocyanatophenyl)propyl)-, (1alpha(S*),2beta)-(+-)-

Registry Numbers

CAS Registry Number

  • 142434-84-2

System Generated Number

  • 0142434842

Structure Descriptors

InChI

1S/C26H34N4O10S/c31-22(32)11-28(12-23(33)34)19(9-17-5-7-18(8-6-17)27-16-41)10-29(13-24(35)36)20-3-1-2-4-21(20)30(14-25(37)38)15-26(39)40/h5-8,19-21H,1-4,9-15H2,(H,31,32)(H,33,34)(H,35,36)(H,37,38)(H,39,40)/t19-,20+,21?/m0/s1

InChIKey

QZVREUUCWLULJM-MCOCGALXSA-N

Smiles

C(C[N@@](C[C@H](Cc1ccc(cc1)N=C=S)N(CC(=O)O)CC(=O)O)[C@H]1[C@@H](CCCC1)N(CC(=O)O)CC(=O)O)(=O)O