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Heterocyclic building blocks

SequestOx

Also known as Naltrexone / oxycodone, Oxycodone / naltrexone, Troxyca Er

CAS 850636-71-4Formula C38H46Cl2N2O8Molar mass 729.70 g/mol
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SequestOx chemical structure, C38H46Cl2N2O8, CAS 850636-71-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
850636-71-4
Formula
C38H46Cl2N2O8
Molar mass
729.70 g/mol
HS code
293499
Category
Heterocyclic building blocks

What is SequestOx?

Plain description, key identifiers and synonyms

SequestOx is a chemical substance with the molecular formula C38H46Cl2N2O8 and a molar mass of 729.70 g/mol. Its CAS registry number is 850636-71-4. The IUPAC name is (4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one, (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one, dihydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R,4aS,7aR,12bS)-4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one, (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one, dihydrochloride
CAS number
850636-71-4
Molecular formula
C38H46Cl2N2O8
InChIKey
FRJHGZQFCBEKSU-UBVCJSOXSA-N
InChI
InChI=1S/C20H23NO4.C18H21NO4.2ClH/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11;1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10;;/h3-4,11,15,18,22,24H,1-2,5-10H2;3-4,13,16,21H,5-9H2,1-2H3;2*1H/t15-,18+,19+,20-;13-,16+,17+,18-;;/m11../s1
Canonical SMILES
COc1ccc2c3c1OC1C(=O)CCC4(O)C(C2)N(C)CCC314.Cl.Cl.O=C1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5
Isomeric SMILES
CN1CC[C@]23[C@@H]4C(=O)CC[C@]2([C@H]1CC5=C3C(=C(C=C5)OC)O4)O.C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O.Cl.Cl

Synonyms

  • Naltrexone / oxycodone
  • Oxycodone / naltrexone
  • Troxyca Er
  • Naltrexone hydrochloride / oxycodone hydrochloride
  • Oxycodone hydrochloride / naltrexone hydrochloride
  • Naltrexone hydrochloride and oxycodone hydrochloride
  • Oxycodone hydrochloride and naltrexone hydrochloride

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
729.70 g/molcalc.
Exact mass
728.2631 Dacalc.
LogP (octanol/water)
3.42calc.
Topological polar surface area
129 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
10calc.
Rotatable bonds
3calc.
Heavy atoms
50calc.
Rings
11calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.63calc.
Formal charge
0calc.
Stereocentres
8calc.
Components
4calc.
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=C1CCC2C3Cc4cccc5c4C2(CCN3CC2CC2)C1O5

O=C1CCC2C3Cc4cccc5c4C2(CCN3CC2CC2)C1O5

6 rings, 23 atoms.

46 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.

SequestOx suppliers

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

Frequently asked questions

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

What is SequestOx?

SequestOx is a chemical substance with the molecular formula C38H46Cl2N2O8 and a molar mass of 729.70 g/mol. Its CAS registry number is 850636-71-4.

What is the CAS number of SequestOx?

The CAS registry number of SequestOx is 850636-71-4.

What is the molecular formula and weight of SequestOx?

The molecular formula of SequestOx is C38H46Cl2N2O8 and its molar mass is 729.70 g/mol.

What is SequestOx used for?

Known uses and roles of SequestOx include building blocks in research and laboratory.

Is SequestOx hazardous?

No GHS hazard classification for SequestOx 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 SequestOx?

SequestOx 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 SequestOx?

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

What is the price of SequestOx?

Suppliers quote SequestOx 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 SequestOx

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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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