2-[6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
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![2-[6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/78d7a6ac07c245a58ff20bedd92940ab.png "2-[6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid")
2-[6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
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CAS No:
126753-62-6
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Formula:
C25H36BrN5O9
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Chemical Name:
2-[6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
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Synonyms:
2-(4-(bromoacetamido)benzyl)-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid;4-bromoacetamidobenzyl-1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid;6-BAD;BAB-DOTA;126753-62-6;Bab-dota;6-BAD;ACMC-20ms5h;4-Bromoacetamidobenzyl-1,4,7,10-tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid;SCHEMBL13867133;DTXSID10925694;2-[(p-bromoacetamido)benzyl]DOTA;2-(4-(Bromoacetamido)benzyl)-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid;1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraaceticacid, 2-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-;1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid, 2-((4-((bromoacetyl)amino)phenyl)methyl)-;2,2',2'',2'''-(2-{[4-(2-Bromoacetamido)phenyl]methyl}-1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid
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CAS No:
2-[6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid Basic Attributes
630.5 g/mol
629.16964 g/mol
Drug Information
2-(4-(bromoacetamido)benzyl)-1,4,7,10-tetraazacyclodecane-N,N',N'',N'''-tetraacetic acid
Computed Properties
Molecular Weight:630.5
XLogP3:-8.6
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:12
Exact Mass:629.16964
Monoisotopic Mass:629.16964
Topological Polar Surface Area:191
Heavy Atom Count:40
Complexity:872
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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