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calcium;2-[4-(carboxylatomethyl)-10-(carboxymethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetate

calcium;2-[4-(carboxylatomethyl)-10-(carboxymethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetate structure

CAS No:
151878-23-8
Formula:
C18H32CaN4O9
Chemical Name:
calcium;2-[4-(carboxylatomethyl)-10-(carboxymethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
Synonyms:
Calcobutrol;151878-23-8;1,4,7,10-Tetraazacyclododecane-1,4,7-triaceticacid, 10-[(1R,2S)-2,3-dihydroxy-1-(hydroxymethyl)propyl]-, calcium salt (1:1),rel-;ACMC-20dfyn;CHEMBL2107713;DTXSID00934356;AKOS030254991;AC-31774;calcium 2,2'-[7-(carboxymethyl)-10-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetraazacyclododecane-1,4-diyl]diacetate;calcium;2-[4-(carboxylatomethyl)-10-(carboxymethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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calcium;2-[4-(carboxylatomethyl)-10-(carboxymethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetate Basic Attributes

Molecular Weight：

488.5 g/mol

Exact Mass：

488.1795195 g/mol

Characteristics

PSA：

191 Å²

Computed Properties

Molecular Weight:488.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:8
Exact Mass:488.1795195
Monoisotopic Mass:488.1795195
Topological Polar Surface Area:191
Heavy Atom Count:32
Complexity:569
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of calcium;2-[4-(carboxylatomethyl)-10-(carboxymethyl)-7-(1,3,4-trihydroxybutan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]acetate

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