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Screening compounds

Hydrocodone aldol dimer

Also known as 6',7-Bimorphinan)-6-one, 4,5:4',5'-diepoxy-6'-hydroxy-3,3'-dimethoxy-17,17'-dimethyl-, (5alpha)-(5'alpha)-, 6',7-Bimorphinan)-6-one, 4,5:4',5'-diepoxy-6'-hydroxy-3,3'-dimethoxy-17,17'-dimethyl-, (5.alpha.)-(5'.alpha.)-

CAS 2139239-97-5Formula C36H42N2O6Molar mass 598.74 g/mol
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Hydrocodone aldol dimer chemical structure, C36H42N2O6, CAS 2139239-97-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2139239-97-5
Formula
C36H42N2O6
Molar mass
598.74 g/mol
HS code
293499
Category
Screening compounds

What is Hydrocodone aldol dimer?

Plain description, key identifiers and synonyms

Hydrocodone aldol dimer is a chemical substance with the molecular formula C36H42N2O6 and a molar mass of 598.74 g/mol. Its CAS registry number is 2139239-97-5. The IUPAC name is (4R,4aR,7aR,12bS)-6-[(4R,4aR,7aR,12bS)-7-hydroxy-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R,4aR,7aR,12bS)-6-[(4R,4aR,7aR,12bS)-7-hydroxy-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CAS number
2139239-97-5
Molecular formula
C36H42N2O6
UNII
RB72V7M8MT
InChIKey
RHEYPXQDDDRWEY-QOFXUFJWSA-N
InChI
InChI=1S/C36H42N2O6/c1-37-14-12-35-20-9-10-36(40,33(35)44-31-26(42-4)8-6-19(28(31)35)15-23(20)37)22-17-21-24-16-18-5-7-25(41-3)30-27(18)34(21,11-13-38(24)2)32(43-30)29(22)39/h5-8,20-24,32-33,40H,9-17H2,1-4H3/t20-,21-,22?,23+,24+,32-,33+,34-,35-,36?/m0/s1
Canonical SMILES
COc1ccc2c3c1OC1C(=O)C(C4(O)CCC5C6Cc7ccc(OC)c8c7C5(CCN6C)C4O8)CC4C(C2)N(C)CCC314
Isomeric SMILES
CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3C(CC4)(C6C[C@H]7[C@H]8CC9=C1[C@@]7(CCN8C)[C@H](C6=O)OC1=C(C=C9)OC)O

Synonyms

  • 6',7-Bimorphinan)-6-one, 4,5:4',5'-diepoxy-6'-hydroxy-3,3'-dimethoxy-17,17'-dimethyl-, (5alpha)-(5'alpha)-
  • 6',7-Bimorphinan)-6-one, 4,5:4',5'-diepoxy-6'-hydroxy-3,3'-dimethoxy-17,17'-dimethyl-, (5.alpha.)-(5'.alpha.)-

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
598.74 g/molcalc.
Exact mass
598.3043 Dacalc.
LogP (octanol/water)
3.27calc.
Topological polar surface area
80.7 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
8calc.
Rotatable bonds
3calc.
Heavy atoms
44calc.
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.

Hydrocodone aldol dimer suppliers

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

Frequently asked questions

Quick answers about Hydrocodone aldol dimer, based on the data on this page

What is Hydrocodone aldol dimer?

Hydrocodone aldol dimer is a chemical substance with the molecular formula C36H42N2O6 and a molar mass of 598.74 g/mol. Its CAS registry number is 2139239-97-5.

What is the CAS number of Hydrocodone aldol dimer?

The CAS registry number of Hydrocodone aldol dimer is 2139239-97-5.

What is the molecular formula and weight of Hydrocodone aldol dimer?

The molecular formula of Hydrocodone aldol dimer is C36H42N2O6 and its molar mass is 598.74 g/mol.

What is Hydrocodone aldol dimer used for?

Known uses and roles of Hydrocodone aldol dimer include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Hydrocodone aldol dimer hazardous?

No GHS hazard classification for Hydrocodone aldol dimer 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 Hydrocodone aldol dimer?

Hydrocodone aldol dimer 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 Hydrocodone aldol dimer?

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What is the price of Hydrocodone aldol dimer?

Suppliers quote Hydrocodone aldol dimer on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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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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