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Substance Name: PA-DOTA
RN: 130707-75-4
InChIKey: HQHVHMQCHASIHT-UHFFFAOYSA-N

Note

  • Bifunctional chelating agent for radioimmunotherapy studies.

Molecular Formula

  • C24-H37-N3-O8

Molecular Weight

  • 523.5833
 
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Names and Synonyms

Results Name

  • PA-DOTA

Name of Substance

  • 4-Aminophenylethyl-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid

Synonyms

  • alpha-(2-(4-Aminophenyl)ethyl)-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid
  • PA-DOTA

Systematic Name

  • 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, alpha-(2-(4-aminophenyl)ethyl)-

Registry Numbers

CAS Registry Number

  • 130707-75-4

System Generated Number

  • 0130707754

Structure Descriptors

InChI

1S/C24H37N5O8/c25-19-4-1-18(2-5-19)3-6-20(24(36)37)29-13-11-27(16-22(32)33)9-7-26(15-21(30)31)8-10-28(12-14-29)17-23(34)35/h1-2,4-5,20H,3,6-17,25H2,(H,30,31)(H,32,33)(H,34,35)(H,36,37)

InChIKey

HQHVHMQCHASIHT-UHFFFAOYSA-N

Smiles

c1cc(ccc1CCC(C(=O)O)N2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O)N