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Screening compounds

Codeine (R)-benzoate

Also known as 6-Isocodeine Benzoate, (4R,4aR,7R,7aR,12bS)-9-Methoxy-3-methyl-2,3,4,4a,7,7a-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl Benzoate, (5a,6ss)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methyl-morphinan-6-ol Benzoate (Ester),

CAS 135091-14-4Formula C25H25NO4Molar mass 403.48 g/mol
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Codeine (R)-benzoate chemical structure, C25H25NO4, CAS 135091-14-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
135091-14-4
Formula
C25H25NO4
Molar mass
403.48 g/mol
HS code
293499
Category
Screening compounds

What is Codeine (R)-benzoate?

Plain description, key identifiers and synonyms

Codeine (R)-benzoate is a chemical substance with the molecular formula C25H25NO4 and a molar mass of 403.48 g/mol. Its CAS registry number is 135091-14-4. The IUPAC name is [(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-yl] benzoate.

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-yl] benzoate
CAS number
135091-14-4
Molecular formula
C25H25NO4
InChIKey
FYQGRLIBPOFACV-VVPLWGBKSA-N
InChI
InChI=1S/C25H25NO4/c1-26-13-12-25-17-9-11-20(29-24(27)15-6-4-3-5-7-15)23(25)30-22-19(28-2)10-8-16(21(22)25)14-18(17)26/h3-11,17-18,20,23H,12-14H2,1-2H3/t17-,18+,20+,23-,25-/m0/s1
Canonical SMILES
COc1ccc2c3c1OC1C(OC(=O)c4ccccc4)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)OC(=O)C6=CC=CC=C6

Synonyms

  • 6-Isocodeine Benzoate
  • (4R,4aR,7R,7aR,12bS)-9-Methoxy-3-methyl-2,3,4,4a,7,7a-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl Benzoate
  • (5a,6ss)-7,8-Didehydro-4,5-epoxy-3-methoxy-17-methyl-morphinan-6-ol Benzoate (Ester),

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
403.48 g/molcalc.
Exact mass
403.1784 Dacalc.
LogP (octanol/water)
3.37calc.
Topological polar surface area
48 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
3calc.
Heavy atoms
30calc.
Rings
6calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.4calc.
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, O=C(OC1C=CC2C3Cc4cccc5c4C2(CCN3)C1O5)c1ccccc1

O=C(OC1C=CC2C3Cc4cccc5c4C2(CCN3)C1O5)c1ccccc1

6 rings, 27 atoms.

No other chemical in our database has 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.

Codeine (R)-benzoate suppliers

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Codeine (R)-benzoate price

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

Frequently asked questions

Quick answers about Codeine (R)-benzoate, based on the data on this page

What is Codeine (R)-benzoate?

Codeine (R)-benzoate is a chemical substance with the molecular formula C25H25NO4 and a molar mass of 403.48 g/mol. Its CAS registry number is 135091-14-4. The IUPAC name is [(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-yl] benzoate.

What is the CAS number of Codeine (R)-benzoate?

The CAS registry number of Codeine (R)-benzoate is 135091-14-4.

What is the molecular formula and weight of Codeine (R)-benzoate?

The molecular formula of Codeine (R)-benzoate is C25H25NO4 and its molar mass is 403.48 g/mol.

What is Codeine (R)-benzoate used for?

Known uses and roles of Codeine (R)-benzoate include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Codeine (R)-benzoate hazardous?

No GHS hazard classification for Codeine (R)-benzoate 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 Codeine (R)-benzoate?

Codeine (R)-benzoate 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 Codeine (R)-benzoate?

Post a free request on CompoundList and suppliers of Codeine (R)-benzoate will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Codeine (R)-benzoate?

Suppliers quote Codeine (R)-benzoate 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

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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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