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Screening compounds

Acetyldihydrocodeine

Also known as Dihydrothebacone, Dihydrocodeine 6-acetate, 7,8-Dihydrocodeine acetate

CAS 3861-72-1Formula C20H25NO4Molar mass 343.42 g/molEC 223-377-5
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Acetyldihydrocodeine chemical structure, C20H25NO4, CAS 3861-72-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3861-72-1
Formula
C20H25NO4
Molar mass
343.42 g/mol
EC number
223-377-5
HS code
293499
Category
Screening compounds

What is Acetyldihydrocodeine?

Plain description, key identifiers and synonyms

Acetyldihydrocodeine is a morphinane alkaloid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl] acetate
CAS number
3861-72-1 CAS number cross-checked
EC number
223-377-5
Molecular formula
C20H25NO4
UNII
SGY1T84P34
InChIKey
LGGDXXJAGWBUSL-BKRJIHRRSA-N
InChI
InChI=1S/C20H25NO4/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2/h4,6,13-14,16,19H,5,7-10H2,1-3H3/t13-,14+,16-,19-,20-/m0/s1
Canonical SMILES
COc1ccc2c3c1OC1C(OC(C)=O)CCC4C(C2)N(C)CCC341
Isomeric SMILES
CC(=O)O[C@H]1CC[C@H]2[C@H]3CC4=C5[C@]2([C@H]1OC5=C(C=C4)OC)CCN3C

Synonyms

  • Dihydrothebacone
  • Dihydrocodeine 6-acetate
  • 7,8-Dihydrocodeine acetate
  • Codeine, acetyldihydro-
  • Acetyldihydrokodein
  • Acetylcodone
  • Codeine, dihydro-, acetate
  • IDS-NA-002(SECT.-2)
  • 4,5alpha-Epoxy-3-methoxy-17-methylmorphinan-6alpha-yl acetat
  • Acetylcodone (TN)
  • Morphinan-6-alpha-ol, 4,5-alpha-epoxy-3-methoxy-17-methyl-, acetate
  • Morphinan-6-alpha-ol, 4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5alpha,6alpha)-
  • 3-Methoxy-6-acetoxy-(5alpha,6.alpha.)-7,8-didehydro-4,5-epoxy-17-methylmorphinan
  • (1S,5R,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo(9.6.1.01,13.0?,1?.0?,1?)octadeca-7(18),8,10-trien-14-yl acetate
  • (1S,5R,13R,14S,17R)-10-methoxy-4-methyl-12-oxa-4-azapentacyclo[9.6.1.01,13.0?,1?.0?,1?]octadeca-7(18),8,10-trien-14-yl acetate
  • Morphinan-6alpha-ol, 4,5-alpha-epoxy-3-methoxy-17-methyl-, acetate
  • Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, acetate, (5alpha,6alpha)-
  • Morphinan-6alpha-ol, 4,5alpha-epoxy-3-methoxy-17-methyl-, acetate (ester)
  • 3-Methoxy-6-acetoxy-(5alpha,6alpha)-7,8-didehydro-4,5-epoxy-17-methylmorphinan
  • Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, acetate (ester), (5alpha,6alpha)-
  • DEA No. 9051
  • Acetyldihydrocodeine (1.0 mg/mL in Acetonitrile)
  • (5alpha,6alpha)-4,5-Epoxy-3-methoxy-17-methylmorphinan-6-yl acetate
  • Acetyldihydrocodeine (1 mg/mL in Acetonitrile)
  • 3-Methoxy-17-methyl-5alpha-4,5-epoxymorphinan-6alpha-yl acetate

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
343.42 g/molcalc.
Exact mass
343.1784 Dacalc.
LogP (octanol/water)
2.3calc.
Topological polar surface area
48 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
2calc.
Heavy atoms
25calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.65calc.
Formal charge
0calc.
Stereocentres
5calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1cc2c3c(c1)OC1CCCC4C(C2)NCCC314

c1cc2c3c(c1)OC1CCCC4C(C2)NCCC314

5 rings, 18 atoms.

110 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Acetyldihydrocodeine suppliers

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Where suppliers are based

1 supplier in 1 country

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Acetyldihydrocodeine price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • antitussive
  • pharmaceutical

Regulatory status

Inventories, regulations and trade controls that list this substance

Controls

  • US DEA controlled substance or listed chemical

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Acetyldihydrocodeine is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Acetyldihydrocodeine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Acetyldihydrocodeine, based on the data on this page

What is Acetyldihydrocodeine?

Acetyldihydrocodeine is a morphinane alkaloid.

What is the CAS number of Acetyldihydrocodeine?

The CAS registry number of Acetyldihydrocodeine is 3861-72-1.

What is the molecular formula and weight of Acetyldihydrocodeine?

The molecular formula of Acetyldihydrocodeine is C20H25NO4 and its molar mass is 343.42 g/mol.

What is Acetyldihydrocodeine used for?

Known uses and roles of Acetyldihydrocodeine include building blocks in research and laboratory, screening compounds in research and laboratory, antitussive and pharmaceutical.

Is Acetyldihydrocodeine hazardous?

No GHS hazard classification for Acetyldihydrocodeine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Acetyldihydrocodeine?

Acetyldihydrocodeine is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Acetyldihydrocodeine?

CompoundList lists 1 supplier of Acetyldihydrocodeine in Poland. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Acetyldihydrocodeine?

Suppliers quote Acetyldihydrocodeine on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Acetyldihydrocodeine

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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