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Methylnaltrexone-[d3] Bromide

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General Information
Catalog: BLP-013561
CAS: 1131456-47-7
Molecular Formula: C21H23D3BrNO4
Molecular Weight: 439.36

Chemical Structure

Description	Methylnaltrexone-[d3] Bromide is a labelled metabolite of Naltrexone that is a selective μ-opioid receptor antagonist.
Synonyms	N-Methyl Naltrexone-d3 Bromide
IUPAC Name	(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-(trideuteriomethyl)-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one;bromide
Related CAS	73232-52-7 (unlabelled)
Canonical SMILES	C[N+]1(CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6.[Br-]
InChI	InChI=1S/C21H25NO4.BrH/c1-22(11-12-2-3-12)9-8-20-17-13-4-5-14(23)18(17)26-19(20)15(24)6-7-21(20,25)16(22)10-13;/h4-5,12,16,19,25H,2-3,6-11H2,1H3;1H/t16-,19+,20+,21-,22?;/m1./s1/i1D3;
InChI Key	IFGIYSGOEZJNBE-NJKPUNJJSA-N
Melting Point	240-242°C
Storage	Store at -20°C