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Heterocyclic building blocks

Isocodeine

Also known as (5alpha,6beta)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol, (4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinolin-7-ol, (4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol

CAS 509-64-8Formula C18H21NO3Molar mass 299.37 g/molEC 208-101-3
GHS signal word: Danger. Pictograms: Acute toxicity (severe), Harmful or irritant Prohibited, not for trade
Why it is not for trade
Isocodeine chemical structure, C18H21NO3, CAS 509-64-8
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
509-64-8
Formula
C18H21NO3
Molar mass
299.37 g/mol
EC number
208-101-3
HS code
293499
Category
Heterocyclic building blocks

What is Isocodeine?

Plain description, key identifiers and synonyms

Isocodeine has been reported in Papaver somniferum.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CAS number
509-64-8 CAS number cross-checked
EC number
208-101-3
Molecular formula
C18H21NO3
UNII
XWN5Y2Y8ZQ
InChIKey
OROGSEYTTFOCAN-KEMUOJQUSA-N
InChI
InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11-,12+,13+,17-,18-/m0/s1
Canonical SMILES
COc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341
Isomeric SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3[C@@H](C=C4)O

Synonyms

  • (5alpha,6beta)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol
  • (4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro(3,2-e)isoquinolin-7-ol
  • (4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
  • Ardinex
  • Isocodein
  • Iso-Codeine
  • alpha-isocodeine
  • Morphinan-6beta-ol, 7,8-didehydro-4,5alpha-epoxy-3-methoxy-17-methyl-
  • Isocodeine 0.1 mg/ml in Methanol
  • Morphinan-6-beta-ol, 7,8-didehydro-4,5-alpha-epoxy-3-methoxy-17-methyl-
  • 3-Methoxy-17-methyl-5alpha-7,8-didehydro-4,5-epoxymorphinan-6beta-ol
  • Morphinan-6-ol, 7,8-didehydro-4,5-epoxy-3-methoxy-17-methyl-, (5alpha,6beta)-

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
299.37 g/molcalc.
Exact mass
299.1521 Dacalc.
LogP (octanol/water)
1.5calc.
Topological polar surface area
41.93 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
1calc.
Heavy atoms
22calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.56calc.
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, C1=CC2C3Cc4cccc5c4C2(CCN3)C(C1)O5

C1=CC2C3Cc4cccc5c4C2(CCN3)C(C1)O5

5 rings, 18 atoms.

246 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H301Toxic if swallowed.
  • H302Harmful if swallowed.
  • H331Toxic if inhaled.
Precautionary statements (13)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P301 + P317If swallowed: Get medical help.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

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

Full safety data and first aid

Isocodeine suppliers

Trading restrictions apply to this substance

Narcotic drug

Isocodeine is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Listing and enquiries are not allowed for this substance.

Reference: UN Single Convention on Narcotic Drugs 1961, HS 2022 subheading 2939.11 (opium alkaloids and their derivatives)

Our policy on controlled substances

Isocodeine price

Indicative price range per kg from live supplier offers

Prices are not shown for prohibited substances.

Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

Narcotic drug

Isocodeine is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.

Listing and enquiries are not allowed for this substance.

Reference: UN Single Convention on Narcotic Drugs 1961, HS 2022 subheading 2939.11 (opium alkaloids and their derivatives)

Our policy on controlled substances

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Isocodeine 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 Isocodeine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Isocodeine?

Isocodeine has been reported in Papaver somniferum.

What is the CAS number of Isocodeine?

The CAS registry number of Isocodeine is 509-64-8.

What is the molecular formula and weight of Isocodeine?

The molecular formula of Isocodeine is C18H21NO3 and its molar mass is 299.37 g/mol.

What is Isocodeine used for?

Known uses and roles of Isocodeine include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Isocodeine hazardous?

Isocodeine carries the GHS signal word "Danger". Main hazards: toxic if swallowed, harmful if swallowed, toxic if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Isocodeine?

Isocodeine 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.

Can I buy Isocodeine on CompoundList?

No. Isocodeine is on our prohibited list, so listings, quotes and messages for it are disabled. This page is kept for information only.

Guides for buyers

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

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

Explore more in Heterocyclic building blocks or HS code 293499

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