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Acid, base and phase-transfer catalysts

Ethylmorphine methiodide

Also known as Trachyl, Ethylmorphine iodomethylate, Ethyl-N-methylmorphinium iodide

CAS 6696-59-9Formula C20H26INO3Molar mass 455.34 g/molEC 229-742-5
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Ethylmorphine methiodide chemical structure, C20H26INO3, CAS 6696-59-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
6696-59-9
Formula
C20H26INO3
Molar mass
455.34 g/mol
EC number
229-742-5
HS code
293499
Category
Acid, base and phase-transfer catalysts

What is Ethylmorphine methiodide?

Plain description, key identifiers and synonyms

Ethylmorphine methiodide is a chemical substance with the molecular formula C20H26INO3 and a molar mass of 455.34 g/mol. Its CAS registry number is 6696-59-9. The IUPAC name is (4R,4aR,7S,7aR,12bS)-9-ethoxy-3,3-dimethyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-ol iodide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R,4aR,7S,7aR,12bS)-9-ethoxy-3,3-dimethyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-ol iodide
CAS number
6696-59-9 CAS number cross-checked
EC number
229-742-5
Molecular formula
C20H26INO3
UNII
LJ94864N2O
InChIKey
JNOZRSPHCSIWDK-BRVQCBAPSA-M
InChI
InChI=1S/C20H26NO3.HI/c1-4-23-16-8-5-12-11-14-13-6-7-15(22)19-20(13,9-10-21(14,2)3)17(12)18(16)24-19;/h5-8,13-15,19,22H,4,9-11H2,1-3H3;1H/q+1;/p-1/t13-,14+,15-,19-,20-;/m0./s1
Canonical SMILES
CCOc1ccc2c3c1OC1C(O)C=CC4C(C2)[N+](C)(C)CCC341.[I-]
Isomeric SMILES
CCOC1=C2C3=C(C[C@@H]4[C@H]5[C@]3(CC[N+]4(C)C)[C@@H](O2)[C@H](C=C5)O)C=C1.[I-]

Synonyms

  • Trachyl
  • Ethylmorphine iodomethylate
  • Ethyl-N-methylmorphinium iodide
  • (5alpha,6alpha)-7,8-Didehydro-4,5-epoxy-3-ethoxy-6-hydroxy-17,17-dimethylmorphinanium iodide
  • Morphinanium, 7,8-didehydro-4,5-epoxy-3-ethoxy-6-hydroxy-17,17-dimethyl-, iodide, (5alpha,6alpha)-
  • Morphinanium, 7,8-didehydro-4,5alpha-epoxy-3-ethoxy-6alpha-hydroxy-17,17-dimethyl-, iodide
  • 3-o-Ethyl-N-methylmorphinium iodide
  • 3-Ethoxy-6-hydroxy-17,17-dimethyl-7,8-didehydro-4,5-epoxymorphinan-17-ium iodide
  • 3-Ethoxy-6alpha-hydroxy-17,17-dimethyl-5alpha-7,8-didehydro-4,5-epoxymorphinan-17-ium iodide

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
455.34 g/molcalc.
Exact mass
455.0957 Dacalc.
LogP (octanol/water)
-0.96calc.
Topological polar surface area
38.69 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
25calc.
Rings
5calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.6calc.
Formal charge
0calc.
Stereocentres
5calc.
Components
2calc.
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.

Ethylmorphine methiodide suppliers

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

Frequently asked questions

Quick answers about Ethylmorphine methiodide, based on the data on this page

What is Ethylmorphine methiodide?

Ethylmorphine methiodide is a chemical substance with the molecular formula C20H26INO3 and a molar mass of 455.34 g/mol. Its CAS registry number is 6696-59-9. The IUPAC name is (4R,4aR,7S,7aR,12bS)-9-ethoxy-3,3-dimethyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-3-ium-7-ol iodide.

What is the CAS number of Ethylmorphine methiodide?

The CAS registry number of Ethylmorphine methiodide is 6696-59-9.

What is the molecular formula and weight of Ethylmorphine methiodide?

The molecular formula of Ethylmorphine methiodide is C20H26INO3 and its molar mass is 455.34 g/mol.

Is Ethylmorphine methiodide hazardous?

No GHS hazard classification for Ethylmorphine methiodide 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 Ethylmorphine methiodide?

Ethylmorphine methiodide 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 Ethylmorphine methiodide?

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What is the price of Ethylmorphine methiodide?

Suppliers quote Ethylmorphine methiodide 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

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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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