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Screening compounds

Codeine/proline

Also known as Codeine / proline, 5-Oxo-L-proline, compound with (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol (1:1)

CAS 93964-00-2Formula C23H28N2O6Molar mass 428.49 g/molEC 300-846-3
Prohibited, not for trade
Why it is not for trade
Codeine/proline chemical structure, C23H28N2O6, CAS 93964-00-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
93964-00-2
Formula
C23H28N2O6
Molar mass
428.49 g/mol
EC number
300-846-3
HS code
293499
Category
Screening compounds

What is Codeine/proline?

Plain description, key identifiers and synonyms

Codeine/proline is a chemical substance with the molecular formula C23H28N2O6 and a molar mass of 428.49 g/mol. Its CAS registry number is 93964-00-2. The IUPAC name is (4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol, (2S)-5-oxopyrrolidine-2-carboxylic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R,4aR,7S,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol, (2S)-5-oxopyrrolidine-2-carboxylic acid
CAS number
93964-00-2
EC number
300-846-3
Molecular formula
C23H28N2O6
InChIKey
NIJHJJMLAKLIMI-QRPBZDQQSA-N
InChI
InChI=1S/C18H21NO3.C5H7NO3/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;7-4-2-1-3(6-4)5(8)9/h3-6,11-13,17,20H,7-9H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)/t11-,12+,13-,17-,18-;3-/m00/s1
Canonical SMILES
COc1ccc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341.O=C1CCC(C(=O)O)N1
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.C1CC(=O)N[C@@H]1C(=O)O

Synonyms

  • Codeine / proline
  • 5-Oxo-L-proline, compound with (5alpha,6alpha)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol (1:1)

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
428.49 g/molcalc.
Exact mass
428.1947 Dacalc.
LogP (octanol/water)
0.85calc.
Topological polar surface area
108.3 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
2calc.
Heavy atoms
31calc.
Rings
6calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.57calc.
Formal charge
0calc.
Stereocentres
6calc.
Components
2calc.
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

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/proline suppliers

Trading restrictions apply to this substance

Controlled or monitored substance

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

Our policy on controlled substances

Codeine/proline 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

Controlled or monitored substance

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

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 Codeine/proline 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/proline is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Codeine/proline, based on the data on this page

What is Codeine/proline?

Codeine/proline is a chemical substance with the molecular formula C23H28N2O6 and a molar mass of 428.49 g/mol. Its CAS registry number is 93964-00-2.

What is the CAS number of Codeine/proline?

The CAS registry number of Codeine/proline is 93964-00-2.

What is the molecular formula and weight of Codeine/proline?

The molecular formula of Codeine/proline is C23H28N2O6 and its molar mass is 428.49 g/mol.

What is Codeine/proline used for?

Known uses and roles of Codeine/proline include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Codeine/proline hazardous?

No GHS hazard classification for Codeine/proline 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/proline?

Codeine/proline 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 Codeine/proline on CompoundList?

No. Codeine/proline 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 Codeine/proline

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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