Products 2447549-29-1

CAS 2447549-29-1 appears in our catalog under these names: Calcobutrol Sodium Salt, BUTROL SODIUM. Offered by: TRC, Sigma-Aldrich. Available pack sizes: 50mg, 10MG.

Calcobutrol Sodium Salt
TRC
  • size: 50mg
  • Variants: 1
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BUTROL SODIUM
Sigma-Aldrich
  • size: 10MG
  • Variants: 1
from 4145.00
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Structural formula: {0} (CAS {1})

Trisodium;2-[4,10-bis(carboxylatomethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate (CAS 2447549-29-1) is a chemical compound with the molecular formula C18H31N4Na3O9 and a molecular weight of 516.4 g/mol. IUPAC name: trisodium;2-[4,10-bis(carboxylatomethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate. InChIKey: SPNBDGMGQLOREA-OLVQSPPGSA-K.

Identity
Molecular formulaC18H31N4Na3O9
Molecular weight516.4 g/mol
IUPAC nametrisodium;2-[4,10-bis(carboxylatomethyl)-7-[(2R,3S)-1,3,4-trihydroxybutan-2-yl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
InChIKeySPNBDGMGQLOREA-OLVQSPPGSA-K
SMILESC1CN(CCN(CCN(CCN1CC(=O)[O-])CC(=O)[O-])[C@H](CO)[C@@H](CO)O)CC(=O)[O-].[Na+].[Na+].[Na+]

Computed by PubChem (NCBI)

Synonyms: Calcobutrol Sodium Salt