Gadobutrol Impurity 127

cas: 198637-59-1 — see every product listed under this CAS number, including other names

Gadobutrol Impurity 127 (CAS 198637-59-1) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-G040327
cas198637-59-1
sizeon request
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Structural formula: {0} (CAS {1})

7-[(5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl]-1,4,7,10-tetrazacyclododecane-1-carbaldehyde (CAS 198637-59-1) is a chemical compound with the molecular formula C16H32N4O4 and a molecular weight of 344.45 g/mol. IUPAC name: 7-[(5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl]-1,4,7,10-tetrazacyclododecane-1-carbaldehyde. InChIKey: DGWLGINONHYRMS-HUUCEWRRSA-N.

Identity
Molecular formulaC16H32N4O4
Molecular weight344.45 g/mol
IUPAC name7-[(5R,6S)-6-hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl]-1,4,7,10-tetrazacyclododecane-1-carbaldehyde
InChIKeyDGWLGINONHYRMS-HUUCEWRRSA-N
SMILESCC1(OC[C@H]([C@@H](CO1)O)N2CCNCCN(CCNCC2)C=O)C

Computed by PubChem (NCBI)

Synonyms: starbld0001051, Gadobutrol Impurity 128
Isomers (same molecular formula)
(2R)-6-[ethyl-(N'-ethylcarbamimidoyl)amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid C16H32N4O4
(2S)-6-[[amino(diethylamino)methylidene]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid C16H32N4O4
tert-butyl N-[N'-(5-aminopentyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate C16H32N4O4

Also listed as

7-((5R,6S)-6-Hydroxy-2,2-dimethyl-1,3-dioxepan-5-yl)-1,4,7,10-tetraazacyclododecane-1-carboxaldehyde TRC CAS 198637-59-1