Products 198637-83-1

CAS 198637-83-1 is the registry number for Gadobutrol Impurity 135. Offered by: Chemat Brand. Available pack sizes: on request.

Gadobutrol Impurity 135
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

Tert-butyl 2-[7-[(5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl]-4,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate (CAS 198637-83-1) is a chemical compound with the molecular formula C33H62N4O9 and a molecular weight of 658.9 g/mol. IUPAC name: tert-butyl 2-[7-[(5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl]-4,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate. InChIKey: BIRRZUXEKGBRPV-CLJLJLNGSA-N.

Identity
Molecular formulaC33H62N4O9
Molecular weight658.9 g/mol
IUPAC nametert-butyl 2-[7-[(5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl]-4,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
InChIKeyBIRRZUXEKGBRPV-CLJLJLNGSA-N
SMILESCC1(OC[C@H]([C@@H](CO1)O)N2CCN(CCN(CCN(CC2)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)C

Computed by PubChem (NCBI)