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Impurities and reference standards

2,2'-Biscodeine

Also known as Codeine Dimer, O3,O3'-Dimethylpseudomorphine, Codeine phosphate hemihydrate impurity C

CAS 121395-47-9Formula C36H40N2O6Molar mass 596.72 g/molEC 641-598-9
GHS signal word: Warning. Pictograms: Harmful or irritant
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2,2'-Biscodeine chemical structure, C36H40N2O6, CAS 121395-47-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
121395-47-9
Formula
C36H40N2O6
Molar mass
596.72 g/mol
EC number
641-598-9
HS code
293499
Category
Impurities and reference standards

What is 2,2'-Biscodeine?

Plain description, key identifiers and synonyms

2,2'-Biscodeine is a chemical substance with the molecular formula C36H40N2O6 and a molar mass of 596.72 g/mol. Its CAS registry number is 121395-47-9. The IUPAC name is (4R,4aR,7S,7aR,12bS)-10-[(4R,4aR,7S,7aR,12bS)-7-hydroxy-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl]-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R,4aR,7S,7aR,12bS)-10-[(4R,4aR,7S,7aR,12bS)-7-hydroxy-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-10-yl]-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
CAS number
121395-47-9
EC number
641-598-9
Molecular formula
C36H40N2O6
UNII
9B0ATL3Q9A
InChIKey
OOMWWUFQMYGNDH-SXWORITFSA-N
InChI
InChI=1S/C36H40N2O6/c1-37-11-9-35-21-5-7-25(39)33(35)43-31-27(35)17(15-23(21)37)13-19(29(31)41-3)20-14-18-16-24-22-6-8-26(40)34-36(22,10-12-38(24)2)28(18)32(44-34)30(20)42-4/h5-8,13-14,21-26,33-34,39-40H,9-12,15-16H2,1-4H3/t21-,22-,23+,24+,25-,26-,33-,34-,35-,36-/m0/s1
Canonical SMILES
COc1c(-c2cc3c4c(c2OC)OC2C(O)C=CC5C(C3)N(C)CCC452)cc2c3c1OC1C(O)C=CC4C(C2)N(C)CCC341
Isomeric SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=CC(=C(C(=C52)O[C@H]3[C@H](C=C4)O)OC)C6=C(C7=C8C(=C6)C[C@@H]9[C@H]1[C@]8(CCN9C)[C@@H](O7)[C@H](C=C1)O)OC

Synonyms

  • Codeine Dimer
  • O3,O3'-Dimethylpseudomorphine
  • Codeine phosphate hemihydrate impurity C
  • Codeine hydrochloride dihydrate impurity C
  • Codeine phosphate sesquihydrate impurity C
  • (2,2'-Bimorphinan)-6,6'-diol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-3,3'-dimethoxy-17,17'-dimethyl-, (5alpha,6alpha)-(5'alpha,6'alpha)-
  • Codeine monohydrate impurity c
  • (2,2'-Bimorphinan)-6,6'-diol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-3,3'-dimethoxy-17,17'-dimethyl-, (5alpha,6.alpha.)-(5'.alpha.,6'.alpha.)-
  • 4,5.Alpha.:4',5'.alpha.-diepoxy-3,3'-dimethoxy-17,17'-dimethyl-7,7',8,8'-tetradehydro-2,2'-bimorphinan-6alpha,6'.alpha.-diol
  • Codeine monohydrate impurity c (ep impurity)
  • Codeine hydrochloride dihydrate impurity c (ep impurity)
  • Codeine phosphate hemihydrate impurity c (ep impurity)
  • Codeine phosphate sesquihydrate impurity c (ep impurity)
  • 4,5Alpha:4',5'alpha-diepoxy-3,3'-dimethoxy-17,17'-dimethyl-7,7',8,8'-tetradehydro-2,2'-bimorphinan-6alpha,6'alpha-diol
  • 2,2'-Biscodeine (>90%)
  • 2,2'-Biscodeine (1mg/ml in Acetonitrile)

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
596.72 g/molcalc.
Exact mass
596.2886 Dacalc.
LogP (octanol/water)
2.98calc.
Topological polar surface area
83.86 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
3calc.
Heavy atoms
44calc.
Rings
10calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
10calc.
Lipinski rule of five
Passes (1 violation)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=CC2C3Cc4cc(-c5cc6c7c(c5)OC5CC=CC8C(C6)NCCC758)cc5c4C2(CCN3)C(C1)O5

C1=CC2C3Cc4cc(-c5cc6c7c(c5)OC5CC=CC8C(C6)NCCC758)cc5c4C2(CCN3)C(C1)O5

10 rings, 36 atoms.

2 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
Precautionary statements (5)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P317If swallowed: Get medical help.
  • P330Rinse mouth.
  • 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

2,2'-Biscodeine suppliers

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2,2'-Biscodeine price

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Uses and applications

What the substance is used for, by industry and function

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 2,2'-Biscodeine 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 2,2'-Biscodeine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2,2'-Biscodeine, based on the data on this page

What is 2,2'-Biscodeine?

2,2'-Biscodeine is a chemical substance with the molecular formula C36H40N2O6 and a molar mass of 596.72 g/mol. Its CAS registry number is 121395-47-9.

What is the CAS number of 2,2'-Biscodeine?

The CAS registry number of 2,2'-Biscodeine is 121395-47-9.

What is the molecular formula and weight of 2,2'-Biscodeine?

The molecular formula of 2,2'-Biscodeine is C36H40N2O6 and its molar mass is 596.72 g/mol.

Is 2,2'-Biscodeine hazardous?

2,2'-Biscodeine carries the GHS signal word "Warning". Main hazards: harmful if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 2,2'-Biscodeine?

2,2'-Biscodeine 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 2,2'-Biscodeine?

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What is the price of 2,2'-Biscodeine?

Suppliers quote 2,2'-Biscodeine 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 2,2'-Biscodeine

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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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