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Substance Name: 1-(4-Aminobenzyl)-DTPA
RN: 133097-22-0
InChIKey: HMLLWYKKTNEVCG-UHFFFAOYSA-N

Molecular Formula

  • C21-H30-N4-O10.4Cl-H

Molecular Weight

  • 644.33
 
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Names and Synonyms

Name of Substance

  • 1-(4-Aminobenzyl)-DTPA

Synonyms

  • (+-)-N-(3-(4-Aminophenyl)-2-(bis(carboxymethyl)amino)propyl)-N-(2-(bis(carboxymethyl)amino)ethyl)glycine tetrahydrochloride
  • 1-(p-Aminobenzyl)-DTPA

Systematic Name

  • Glycine, N-(3-(4-aminophenyl)-2-(bis(carboxymethyl)amino)propyl)-N-(2-(bis(carboxymethyl)amino)ethyl)-, tetrahydrochloride, (+-)-

Registry Numbers

CAS Registry Number

  • 133097-22-0

System Generated Number

  • 0133097220

Molecular Formulas

Molecular Formula

  • C21-H30-N4-O10.4Cl-H

Molecular Formula Fragments

  • C21-H30-N4-O10
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C21H30N4O10.4ClH/c22-15-3-1-14(2-4-15)7-16(25(12-20(32)33)13-21(34)35)8-23(9-17(26)27)5-6-24(10-18(28)29)11-19(30)31;;;;/h1-4,16H,5-13,22H2,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35);4*1H

InChIKey

HMLLWYKKTNEVCG-UHFFFAOYSA-N

Smiles

C(O)(C[N@@](CCN(CC(=O)O)CC(=O)O)C[C@@H](Cc1ccc(cc1)N)N(CC(=O)O)CC(=O)O)=O.Cl.Cl.Cl.Cl