(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

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: Zemixal
SKU: ZX-025753

Reference StandardAvailable on request

Order (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…

Pack sizes

(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 chemical structure

CAS number1252784-80-7

FormulaC₂₃H₂₈BrNO₅

Molar mass478.4 g/mol

Physical formSolid

HS code38229090

InChIKeyPDEUUEFPARNYHF-HFAPBKGDSA-M

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

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 belongs to the Naltrexone reference-standard family in the Zemixal catalogue. Identity at a glance (Reference Standard): CAS 1252784-80-7, formula C23H28BrNO5 and molar mass 478.4 g/mol. It is handled as a solid.

Use cases we see most often

Metabolite identification
Stability-indicating methods
Impurity profiling

Available as 10 mg, 25 mg, 50 mg and 100 mg. Larger or split packs can be arranged. You receive a certificate of analysis with characterisation data with each order. Send an enquiry through the quote panel and you get a formal offer with Incoterms and delivery time.

Reference standards for Naltrexone

See every impurity, metabolite and related compound we list for this API.

Naltrexone standards

Typical uses

Metabolite identification
Stability-indicating methods
Impurity profiling

Applications

Pharmaceutical Manufacturing and QC Research Labs and Universities

Specifications and identifiers

Specifications 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
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 number	ZX-025753
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
Molar mass	478.4 g/mol
Exact mass	477.1151
Grade	Reference Standard
Physical form	Solid
H-bond donors / acceptors	1 / 6
Topological polar surface area	72.8 Å²
HS 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
Synonyms	(S)-3-O-Acetylnaltrexone Methyl Bromide, Acetyl Methyl Naltrexone

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

No GHS classification is on file for this item. Handle it as an unknown laboratory chemical and request the SDS with your quotation.

Pack sizes

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
10 mg	Quoted on request
25 mg	Quoted on request
50 mg	Quoted on request
100 mg	Quoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions 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

Which CAS number identifies (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 is registered under CAS 1252784-80-7. You may also see it listed as (S)-3-O-Acetylnaltrexone Methyl Bromide, Acetyl Methyl Naltrexone. Our catalogue number for this item is ZX-025753.

What are the formula and molar mass 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?

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, its formula is C23H28BrNO5 and its molar mass is 478.4 g/mol. InChIKey PDEUUEFPARNYHF-HFAPBKGDSA-M lets you match it in any structure database.

How 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 in pharmaceutical QC?

(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 a characterised reference material linked to Naltrexone. Laboratories use it to identify and quantify this impurity during method development and validation, stability work, batch release testing and regulatory submissions.

What grade and pack sizes are available 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?

This listing is Reference Standard grade. Standard packs are 10 mg, 25 mg, 50 mg, 100 mg. Larger quantities and custom packing can be quoted on request.

Which documents come 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?

Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.

Can Zemixal ship (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 to my country?

Yes. (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 ships worldwide by express courier, air cargo or sea freight, quoted on the Incoterm you prefer, with full export documents.

More Naltrexone standards

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Naltrexone EP Impurity H

CAS: 503090-99-1
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MW: 343.4 g/mol

ZX-025748

Naltrexone EP Impurity F

CAS: 2397651-97-5
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MW: 357.4 g/mol

ZX-025747

(4R,4AS,7aR,12bS)-3-(Cyclopropylmethyl)-4a,9-dihydroxy-2,3,4,4a-tetrahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7(7aH)-one

CAS: 123086-68-0
Formula: C₂₀H₂₁NO₄
MW: 339.4 g/mol

ZX-025759

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