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Screening compounds

Bromocodeine

Also known as Codeine, bromo-, 2-27-00-00170 (Beilstein Handbook Reference), Morphinan-3,6-alpha-diol, 1-bromo-7,8-didehydro-4,5-alpha-epoxy-17-methyl-

CAS 49751-17-9Formula C17H18BrNO3Molar mass 364.24 g/mol
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Bromocodeine chemical structure, C17H18BrNO3, CAS 49751-17-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
49751-17-9
Formula
C17H18BrNO3
Molar mass
364.24 g/mol
HS code
293499
Category
Screening compounds

What is Bromocodeine?

Plain description, key identifiers and synonyms

Bromocodeine is a chemical substance with the molecular formula C17H18BrNO3 and a molar mass of 364.24 g/mol. Its CAS registry number is 49751-17-9. The IUPAC name is (4R,4aR,7S,7aR,12bS)-11-bromo-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R,4aR,7S,7aR,12bS)-11-bromo-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol
CAS number
49751-17-9 CAS number cross-checked
Molecular formula
C17H18BrNO3
InChIKey
DWDDALBPKRAHTN-GLWLLPOHSA-N
InChI
InChI=1S/C17H18BrNO3/c1-19-5-4-17-9-2-3-12(20)16(17)22-15-13(21)7-10(18)8(14(15)17)6-11(9)19/h2-3,7,9,11-12,16,20-21H,4-6H2,1H3/t9-,11+,12-,16-,17-/m0/s1
Canonical SMILES
CN1CCC23c4c5c(Br)cc(O)c4OC2C(O)C=CC3C1C5
Isomeric SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C(C=C(C(=C52)O[C@H]3[C@H](C=C4)O)O)Br

Synonyms

  • Codeine, bromo-
  • 2-27-00-00170 (Beilstein Handbook Reference)
  • Morphinan-3,6-alpha-diol, 1-bromo-7,8-didehydro-4,5-alpha-epoxy-17-methyl-
  • 1-Bromo-17-methyl-5alpha-7,8-didehydro-4,5-epoxymorphinan-3,6alpha-diol

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
364.24 g/molcalc.
Exact mass
363.047 Dacalc.
LogP (octanol/water)
1.96calc.
Topological polar surface area
52.93 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
0calc.
Heavy atoms
22calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.53calc.
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

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.

Bromocodeine suppliers

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Bromocodeine 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

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

Frequently asked questions

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

What is Bromocodeine?

Bromocodeine is a chemical substance with the molecular formula C17H18BrNO3 and a molar mass of 364.24 g/mol. Its CAS registry number is 49751-17-9. The IUPAC name is (4R,4aR,7S,7aR,12bS)-11-bromo-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7,9-diol.

What is the CAS number of Bromocodeine?

The CAS registry number of Bromocodeine is 49751-17-9.

What is the molecular formula and weight of Bromocodeine?

The molecular formula of Bromocodeine is C17H18BrNO3 and its molar mass is 364.24 g/mol.

What is Bromocodeine used for?

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

Is Bromocodeine hazardous?

No GHS hazard classification for Bromocodeine 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 Bromocodeine?

Bromocodeine 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 Bromocodeine?

Post a free request on CompoundList and suppliers of Bromocodeine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Bromocodeine?

Suppliers quote Bromocodeine 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 Bromocodeine

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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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