Naltrexone methylbromide Impurity 2

cas: 1027638-96-5 — see every product listed under this CAS number, including other names

Naltrexone methylbromide Impurity 2 (CAS 1027638-96-5) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-N122028
cas1027638-96-5
sizeon request
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Structural formula: {0} (CAS {1})

(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one bromide (CAS 1027638-96-5) is a chemical compound with the molecular formula C21H24BrNO4 and a molecular weight of 434.3 g/mol. IUPAC name: (4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one bromide. InChIKey: PHHHFCWRROMSHI-OKNVNIRESA-N.

Identity
Molecular formulaC21H24BrNO4
Molecular weight434.3 g/mol
IUPAC name(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-3-methyl-2,4,7a,13-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-one bromide
InChIKeyPHHHFCWRROMSHI-OKNVNIRESA-N
SMILESC[N+]1(CC[C@]23[C@H]4C(=O)C=C[C@]2([C@H]1CC5=C3C(=C(C=C5)O)O4)O)CC6CC6.[Br-]

Computed by PubChem (NCBI)

Also listed as

N-Methyl 7,8-didehydronaltrexone Bromide (Mixture of Diastereomers, >90%) TRC CAS 1027638-96-5