1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-aminophenyl)methyl]-, (2S)- | CAS No. 181065-46-3

1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-aminophenyl)methyl]-, (2S)-

Basic Information

CAS Number

181065-46-3

Molecular Formula

C23H35N5O8

Molecular Weight

509.55 g/mol

AD

Basic Physical Properties

OC(=O)CN1CCN(CCN(CCN([C@H](C1)Cc1ccc(cc1)N)CC(=O)O)CC(=O)O)CC(=O)O

InChI

InChI=1S/C23H35N5O8/c24-18-3-1-17(2-4-18)11-19-12-27(15-22(33)34)8-7-25(13-20(29)30)5-6-26(14-21(31)32)9-10-28(19)16-23(35)36/h1-4,19H,5-16,24H2,(H,29,30)(H,31,32)(H,33,34)(H,35,36)/t19-/m0/s1

InChIKey

VEYDUAGNNSZVTN-IBGZPJMESA-N

LogP

-1.2600999999999902

Topological Polar Surface Area

188.17999999999998 Ų

Hydrogen Bond Donor/Acceptor

6 / 13

Synonyms & References

English

  • p-NH2-Bn-DOTA
  • 2-[6-[(4-aminophenyl)methyl]-4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
  • p-NH2-Bn-DOTA(B-200)
  • 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-[(4-aminophenyl)methyl]-,(2S)-

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