(3S,4R,4AS,7aR,12bS)-9-Acetoxy-3-(cyclopropyl… 1252784-80-7

Name: (3S,4R,4AS,7aR,12bS)-9-Acetoxy-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium Bromide
Brand: Vaqora Chemicals
SKU: VQ-026828

About (3S,4R,4AS,7aR,12bS)-9-Acetoxy-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium Bromide

(3S,4R,4AS,7aR,12bS)-9-Acetoxy-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium Bromide (CAS 1252784-80-7) is a metabolite or degradation product of Naltrexone offered by Vaqora Chemicals. With the molecular formula C23H28BrNO5, it has a molar mass of 478.4 g/mol. Alternative names: (S)-3-O-Acetylnaltrexone Methyl Bromide and Acetyl Methyl Naltrexone.

The product is provided as a solid. Store the standard in its sealed vial, protected from light and moisture, and follow the storage condition printed on the COA. Good laboratory practice and suitable PPE are recommended during handling.

It is used in metabolite identification, stability-indicating method development and impurity profiling of Naltrexone, as well as in QC testing and ANDA/DMF documentation. It is used across pharmaceutical manufacturing and academic and industrial research.

Vaqora Chemicals supplies (3S,4R,4AS,7aR,12bS)-9-Acetoxy-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium Bromide in 10 mg, 25 mg, 50 mg and 100 mg packs, each shipped with a Certificate of Analysis (COA), and exports worldwide.

Typical applications

Metabolite identification
Stability-indicating methods
Impurity profiling

Industries

Related to Naltrexone

View every impurity, metabolite and intermediate we list for Naltrexone.

Naltrexone impurities

Specifications & identifiers

Chemical identifiers
Product name	(3S,4R,4AS,7aR,12bS)-9-Acetoxy-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium Bromide
Catalogue No.	VQ-026828
CAS Number	1252784-80-7
IUPAC name	[(3S,4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-9-yl] acetate bromide
Molecular formula	C₂₃H₂₈BrNO₅
Molecular weight	478.4 g/mol
Exact mass	477.1151
Grade	Reference Standard
HSN code	38229090
InChIKey	PDEUUEFPARNYHF-HFAPBKGDSA-M
SMILES	CC(=O)OC1=C2C3=C(C[C@@H]4[C@]5([C@]3(CC[N@@+]4(C)CC6CC6)[C@@H](O2)C(=O)CC5)O)C=C1.[Br-]
PubChem CID	169432760

Physical properties
Physical form	Solid
H-bond donors / acceptors	1 / 6
TPSA	72.8 Å²

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of (3S,4R,4AS,7aR,12bS)-9-Acetoxy-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium Bromide?

The CAS Registry Number of (3S,4R,4AS,7aR,12bS)-9-Acetoxy-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium Bromide is 1252784-80-7. It is also known as (S)-3-O-Acetylnaltrexone Methyl Bromide, Acetyl Methyl Naltrexone.

What is the molecular formula and molecular weight of (3S,4R,4AS,7aR,12bS)-9-Acetoxy-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium Bromide?

(3S,4R,4AS,7aR,12bS)-9-Acetoxy-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium Bromide has the molecular formula C23H28BrNO5 and a molecular weight of 478.4 g/mol.

What is (3S,4R,4AS,7aR,12bS)-9-Acetoxy-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium Bromide used for?

(3S,4R,4AS,7aR,12bS)-9-Acetoxy-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium Bromide is supplied as a characterised reference material related to Naltrexone. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of (3S,4R,4AS,7aR,12bS)-9-Acetoxy-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium Bromide can I order?

We supply (3S,4R,4AS,7aR,12bS)-9-Acetoxy-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium Bromide in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with (3S,4R,4AS,7aR,12bS)-9-Acetoxy-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium Bromide?

Yes. Every lot of (3S,4R,4AS,7aR,12bS)-9-Acetoxy-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium Bromide is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can (3S,4R,4AS,7aR,12bS)-9-Acetoxy-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium Bromide be shipped internationally?

Yes. We export (3S,4R,4AS,7aR,12bS)-9-Acetoxy-3-(cyclopropylmethyl)-4a-hydroxy-3-methyl-7-oxo-2,3,4,4a,5,6,7,7a-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium Bromide worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.