Products 214542-42-4

CAS 214542-42-4 is the registry number for 2,2-Bis Nalbuphine, >95% (HPLC). Offered by: TRC. Available pack sizes: 10mg, 1mg.

2,2-Bis Nalbuphine, >95% (HPLC)
TRC
  • size: 10mg, 1mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

(4R,4aS,7S,7aR,12bS)-10-[(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7,9-trihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl]-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol (CAS 214542-42-4) is a chemical compound with the molecular formula C42H52N2O8 and a molecular weight of 712.9 g/mol. IUPAC name: (4R,4aS,7S,7aR,12bS)-10-[(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7,9-trihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl]-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol. InChIKey: DBCWTMIWDSKFLL-LEBWPUBNSA-N.

Identity
Molecular formulaC42H52N2O8
Molecular weight712.9 g/mol
IUPAC name(4R,4aS,7S,7aR,12bS)-10-[(4R,4aS,7S,7aR,12bS)-3-(cyclobutylmethyl)-4a,7,9-trihydroxy-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl]-3-(cyclobutylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
InChIKeyDBCWTMIWDSKFLL-LEBWPUBNSA-N
SMILESC1CC(C1)CN2CC[C@]34[C@@H]5[C@H](CC[C@]3([C@H]2CC6=CC(=C(C(=C46)O5)O)C7=C(C8=C9C(=C7)C[C@@H]1[C@]2([C@]9(CCN1CC1CCC1)[C@@H](O8)[C@H](CC2)O)O)O)O)O

Computed by PubChem (NCBI)

Synonyms: 2,2-Bis Nalbuphine, Nalbuphine Impurity 2