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Impurities and reference standards

6',7-Oxycodol-oxycodone

Also known as Oxycodone Impurity 2

CAS 2139257-36-4Formula C36H42N2O8Molar mass 630.74 g/mol
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6',7-Oxycodol-oxycodone chemical structure, C36H42N2O8, CAS 2139257-36-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2139257-36-4
Formula
C36H42N2O8
Molar mass
630.74 g/mol
HS code
293499
Category
Impurities and reference standards

What is 6',7-Oxycodol-oxycodone?

Plain description, key identifiers and synonyms

6',7-Oxycodol-oxycodone is a chemical substance with the molecular formula C36H42N2O8 and a molar mass of 630.74 g/mol. Its CAS registry number is 2139257-36-4. The IUPAC name is (4R,4aS,7aR,12bS)-6-[(4R,4aS,7aR,12bS)-4a,7-dihydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R,4aS,7aR,12bS)-6-[(4R,4aS,7aR,12bS)-4a,7-dihydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CAS number
2139257-36-4
Molecular formula
C36H42N2O8
InChIKey
INTMBGIKPKAHHA-GRUZNYMFSA-N
InChI
InChI=1S/C36H42N2O8/c1-37-14-12-33-26-19-6-8-22(44-4)29(26)46-31(33)34(40,9-10-35(33,41)23(37)15-19)20-17-36(42)24-16-18-5-7-21(43-3)28-25(18)32(36,11-13-38(24)2)30(45-28)27(20)39/h5-8,20,23-24,30-31,40-42H,9-17H2,1-4H3/t20?,23-,24-,30+,31-,32+,33+,34?,35-,36-/m1/s1
Canonical SMILES
COc1ccc2c3c1OC1C(=O)C(C4(O)CCC5(O)C6Cc7ccc(OC)c8c7C5(CCN6C)C4O8)CC4(O)C(C2)N(C)CCC314
Isomeric SMILES
CN1CC[C@]23[C@@H]4C(=O)C(C[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O)C6(CC[C@]7([C@H]8CC9=C1[C@]7([C@H]6OC1=C(C=C9)OC)CCN8C)O)O

Synonyms

  • Oxycodone Impurity 2

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
630.74 g/molcalc.
Exact mass
630.2941 Dacalc.
LogP (octanol/water)
1.5calc.
Topological polar surface area
121.2 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
3calc.
Heavy atoms
46calc.
Rings
10calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.64calc.
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, O=C1C(C2CCC3C4Cc5cccc6c5C3(CCN4)C2O6)CC2C3Cc4cccc5c4C2(CCN3)C1O5

O=C1C(C2CCC3C4Cc5cccc6c5C3(CCN4)C2O6)CC2C3Cc4cccc5c4C2(CCN3)C1O5

10 rings, 37 atoms.

2 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.

6',7-Oxycodol-oxycodone suppliers

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6',7-Oxycodol-oxycodone 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

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 6',7-Oxycodol-oxycodone 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 6',7-Oxycodol-oxycodone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 6',7-Oxycodol-oxycodone, based on the data on this page

What is 6',7-Oxycodol-oxycodone?

6',7-Oxycodol-oxycodone is a chemical substance with the molecular formula C36H42N2O8 and a molar mass of 630.74 g/mol. Its CAS registry number is 2139257-36-4.

What is the CAS number of 6',7-Oxycodol-oxycodone?

The CAS registry number of 6',7-Oxycodol-oxycodone is 2139257-36-4.

What is the molecular formula and weight of 6',7-Oxycodol-oxycodone?

The molecular formula of 6',7-Oxycodol-oxycodone is C36H42N2O8 and its molar mass is 630.74 g/mol.

Is 6',7-Oxycodol-oxycodone hazardous?

No GHS hazard classification for 6',7-Oxycodol-oxycodone 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 6',7-Oxycodol-oxycodone?

6',7-Oxycodol-oxycodone 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 6',7-Oxycodol-oxycodone?

Post a free request on CompoundList and suppliers of 6',7-Oxycodol-oxycodone will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 6',7-Oxycodol-oxycodone?

Suppliers quote 6',7-Oxycodol-oxycodone 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 6',7-Oxycodol-oxycodone

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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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