Products 198637-63-7

CAS 198637-63-7 is the registry number for Gadobutrol Impurity 129. Offered by: Chemat Brand. Available pack sizes: on request.

Gadobutrol Impurity 129
Chemat Brand
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Structural formula: {0} (CAS {1})

(5S,6R)-2,2-dimethyl-6-(1,4,7,10-tetrazacyclododec-1-yl)-1,3-dioxepan-5-ol (CAS 198637-63-7) is a chemical compound with the molecular formula C15H32N4O3 and a molecular weight of 316.44 g/mol. IUPAC name: (5S,6R)-2,2-dimethyl-6-(1,4,7,10-tetrazacyclododec-1-yl)-1,3-dioxepan-5-ol. InChIKey: FRELRIWZBXADCT-ZIAGYGMSSA-N.

Identity
Molecular formulaC15H32N4O3
Molecular weight316.44 g/mol
IUPAC name(5S,6R)-2,2-dimethyl-6-(1,4,7,10-tetrazacyclododec-1-yl)-1,3-dioxepan-5-ol
InChIKeyFRELRIWZBXADCT-ZIAGYGMSSA-N
SMILESCC1(OC[C@H]([C@@H](CO1)O)N2CCNCCNCCNCC2)C

Computed by PubChem (NCBI)

Synonyms: (5R,6S)-2,2-Dimethyl-6-(1,4,7,10-tetraazacyclododec-1-yl)-1,3-dioxepan-5-ol, Gadobutrol Impurity 36, (5S,6R)-2,2-Dimethyl-6-(1,4,7,10-tetrazacyclododec-1-yl)-1,3-dioxepan-5-ol, (5S,6R)-2,2-dimethyl-6-(1,4,7,10-tetraazacyclododecan-1-yl)-1,3-dioxepan-5-ol, 1,3-Dioxepan-5-ol, 2,2-dimethyl-6-(1,4,7,10-tetraazacyclododec-1-yl)-, trans-, 2,2-Dimethyl-6-(1,4,7,10-tetraazacyclododec-1-yl)-1,3-dioxepan-5-ol, trans-, Rel-(5R,6S)-2,2-dimethyl-6-(1,4,7,10-tetraazacyclododec-1-yl)-1,3-dioxepan-5-ol, Gadobutrol Impurity 129