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Home > Encyclopedia > 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

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

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

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

488.5 g/mol

488.1795195 g/mol

Characteristics

191 Ų

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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