Naltrexone methylbromide Impurity 3

cas: 1178899-11-0 — see every product listed under this CAS number, including other names

Naltrexone methylbromide Impurity 3 (CAS 1178899-11-0) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-N122029
cas1178899-11-0
sizeon request
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Structural formula: {0} (CAS {1})

(3R,4R,4aS,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-5,7-dione bromide (CAS 1178899-11-0) is a chemical compound with the molecular formula C21H24BrNO5 and a molecular weight of 450.3 g/mol. IUPAC name: (3R,4R,4aS,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-5,7-dione bromide. InChIKey: SFHHQEKEXPRZRA-FMJWKJCOSA-N.

Identity
Molecular formulaC21H24BrNO5
Molecular weight450.3 g/mol
IUPAC name(3R,4R,4aS,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-5,7-dione bromide
InChIKeySFHHQEKEXPRZRA-FMJWKJCOSA-N
SMILESC[N@@+]1(CC[C@]23C4C(=O)CC(=O)[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6.[Br-]

Computed by PubChem (NCBI)

Synonyms: Methylnaltrexone Bromide Impurity 2, Naltrexone Methylbromide Impurity 3