2-[[6-[6-[6-[[bis(carboxymethyl)amino]methyl]pyridin-2-yl]-4-(3-isothiocyanato-4-methoxyphenyl)pyridin-2-yl]pyridin-2-yl]methyl-(carboxymethyl)amino]acetic acid
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![2-[[6-[6-[6-[[bis(carboxymethyl)amino]methyl]pyridin-2-yl]-4-(3-isothiocyanato-4-methoxyphenyl)pyridin-2-yl]pyridin-2-yl]methyl-(carboxymethyl)amino]acetic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/c7e1b52349f94079a30b5c6b5409ad28.png "2-[[6-[6-[6-[[bis(carboxymethyl)amino]methyl]pyridin-2-yl]-4-(3-isothiocyanato-4-methoxyphenyl)pyridin-2-yl]pyridin-2-yl]methyl-(carboxymethyl)amino]acetic acid")
2-[[6-[6-[6-[[bis(carboxymethyl)amino]methyl]pyridin-2-yl]-4-(3-isothiocyanato-4-methoxyphenyl)pyridin-2-yl]pyridin-2-yl]methyl-(carboxymethyl)amino]acetic acid
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CAS No:
157837-77-9
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Formula:
C33H30N6O9S
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Chemical Name:
2-[[6-[6-[6-[[bis(carboxymethyl)amino]methyl]pyridin-2-yl]-4-(3-isothiocyanato-4-methoxyphenyl)pyridin-2-yl]pyridin-2-yl]methyl-(carboxymethyl)amino]acetic acid
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Synonyms:
4-(3-isothiocyanate-4-methoxyphenyl)-6,6''-bis(N,N-di-(carboxymethylaminomethyl))-2,2'-6',2''-terpyridine;4-(3-isothiocyanate-4-methoxyphenyl)-6,6''-bis(N,N-di-(carboxymethylaminomethyl))-2,2'-6',2''-terpyridine, tetrasodium salt;TMT-NSC;157837-77-9;Tmt-NSC;4-(3-Isothiocyanate-4-methoxyphenyl)-6,6''-bis(N,N-di-(carboxymethylaminomethyl))-2,2'-6',2''-terpyridine;SCHEMBL9391451;DTXSID90166321;Glycine, N,N'-((4'-(3-isothiocyanato-4-methoxyphenyl)(2,2':6',2''-terpyridine)-6,6''-diyl)bis(methylene))bis(N-(carboxymethyl)-
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CAS No:
2-[[6-[6-[6-[[bis(carboxymethyl)amino]methyl]pyridin-2-yl]-4-(3-isothiocyanato-4-methoxyphenyl)pyridin-2-yl]pyridin-2-yl]methyl-(carboxymethyl)amino]acetic acid Basic Attributes
686.7 g/mol
686.17949773 g/mol
DTXSID90166321
Drug Information
4-(3-isothiocyanate-4-methoxyphenyl)-6,6''-bis(N,N-di-(carboxymethylaminomethyl))-2,2'-6',2''-terpyridine
Computed Properties
Molecular Weight:686.7
XLogP3:-1.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:17
Exact Mass:686.17949773
Monoisotopic Mass:686.17949773
Topological Polar Surface Area:248
Heavy Atom Count:49
Complexity:1090
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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