Methylnaltrexone Bromide
(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one bromide
Molecular Identity
Methylnaltrexone Bromide
(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one bromide
PubChem CID: 5361917
2D Structure
Properties
C21H26BrNO4
Molecular Formula
436.30
Molecular Weight
g/mol
435.1045
Exact Mass
Da
66.8
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
664
Complexity
SMILES
Canonical SMILES
SMILES: C[N+]1(CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6.[Br-]Isomeric SMILES
SMILES: C[N+]1(CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6.[Br-]Synonyms(20)
Methylnaltrexone bromideRelistorN-Methylnaltrexone BromideNaltrexone methobromideMRZ-2663BRMOA-728bromuro de metilnaltrexonabromure de methylnaltrexoneMRZ2663BRMOA728DTXSID30868236NALTREXONE METHYLBROMIDEmethylnaltrexoni bromidumRefChem:56830A06AH01
Data from PubChem (NCBI)
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Trials and conditions connected to Methylnaltrexone Bromide
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