2-[6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
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![2-[6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a85071cf5b304b30b126c66ca9c864a4.png "2-[6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid")
2-[6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
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CAS No:
121697-38-9
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Formula:
C27H40BrN5O9
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Chemical Name:
2-[6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid
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Synonyms:
6-BAT; Bab-tata; Br-Benzyl-teta; 1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraaceticacid,6-[[4-[(2-bromoacetyl)amino]phenyl]methyl];
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CAS No:
2-[6-[[4-[(2-bromoacetyl)amino]phenyl]methyl]-4,8,11-tris(carboxymethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetic acid Basic Attributes
658.53900
657.20094 g/mol
DTXSID00153343
Drug Information
6-(4-(bromoacetamido)benzyl)-1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetracetic acid
Computed Properties
Molecular Weight:658.5
XLogP3:-8.1
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:12
Exact Mass:657.20094
Monoisotopic Mass:657.20094
Topological Polar Surface Area:191
Heavy Atom Count:42
Complexity:853
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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