Products 1067643-17-7

CAS 1067643-17-7 is the registry number for Methyl-5a-naltrexol Bromide. Offered by: TRC. Available pack sizes: 50mg, 5mg.

Methyl-5a-naltrexol Bromide
TRC
  • size: 50mg, 5mg
  • Variants: 2
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Structural formula: {0} (CAS {1})

(4R,4aS,7S,7aR,12bS)-3-(cyclopropylmethyl)-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-4a,7,9-triol bromide (CAS 1067643-17-7) is a chemical compound with the molecular formula C21H28BrNO4 and a molecular weight of 438.4 g/mol. IUPAC name: (4R,4aS,7S,7aR,12bS)-3-(cyclopropylmethyl)-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-4a,7,9-triol bromide. InChIKey: PMMRTHFXPXTHGU-IDEBHUSBSA-N.

Identity
Molecular formulaC21H28BrNO4
Molecular weight438.4 g/mol
IUPAC name(4R,4aS,7S,7aR,12bS)-3-(cyclopropylmethyl)-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-4a,7,9-triol bromide
InChIKeyPMMRTHFXPXTHGU-IDEBHUSBSA-N
SMILESC[N+]1(CC[C@]23[C@@H]4[C@H](CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)O)CC6CC6.[Br-]

Computed by PubChem (NCBI)

Synonyms: Methyl-5a-naltrexol Bromide
Related forms of this compound
(4R,4aS,7R,7aR,12bS)-3-(cyclopropylmethyl)-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-4a,7,9-triol bromide C21H28BrNO4
Isomers (same molecular formula)
[9-(cyclopropylmethyl)-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate bromide C21H28BrNO4