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Screening compounds

Cocaethylene

Also known as Ethylcocaine, Homococaine, Homocaine

CAS 529-38-4Formula C18H23NO4Molar mass 317.39 g/molEC 637-078-6
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 2 suppliers listed
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Cocaethylene chemical structure, C18H23NO4, CAS 529-38-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
529-38-4
Formula
C18H23NO4
Molar mass
317.39 g/mol
EC number
637-078-6
HS code
293399
Category
Screening compounds

What is Cocaethylene?

Plain description, key identifiers and synonyms

Cocaethylene is a benzoate ester.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
ethyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CAS number
529-38-4 CAS number cross-checked
EC number
637-078-6
Molecular formula
C18H23NO4
UNII
FJO3071W5Y
InChIKey
NMPOSNRHZIWLLL-XUWVNRHRSA-N
InChI
InChI=1S/C18H23NO4/c1-3-22-18(21)16-14-10-9-13(19(14)2)11-15(16)23-17(20)12-7-5-4-6-8-12/h4-8,13-16H,3,9-11H2,1-2H3/t13-,14+,15-,16+/m0/s1
Canonical SMILES
CCOC(=O)C1C(OC(=O)c2ccccc2)CC2CCC1N2C
Isomeric SMILES
CCOC(=O)[C@@H]1[C@H]2CC[C@H](N2C)C[C@@H]1OC(=O)C3=CC=CC=C3

Synonyms

  • Ethylcocaine
  • Homococaine
  • Homocaine
  • Ethylbenzoylecgonine
  • benzoylecgonine ethyl ester
  • O-Benzoyl-l-ecgonine ethyl ester
  • ethyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
  • coca-ethylene
  • ethyl (1R,2R,3S,5S)-3-benzoyloxy-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylate
  • Cocaethyline
  • Ethyl benzoylecgonine
  • Benzoylethylecgonin
  • Cocethyline
  • Cocaethylene, Benzoylethylecgonine
  • Ethyl cocaine
  • Cocaethylene (1mg/ml in Acetonitrile)
  • Ethyl (1R,2R,3S,5S)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
  • Ecgonine ethyl ester benzoate (ester)
  • Cocaethylin
  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, ethyl ester, [1R-(exo,exo)]-
  • Cocaine-M Cocaethylene
  • 0-22-00-00209 (Beilstein Handbook Reference)
  • Cocaethylene, analytical standard
  • Cocaethylene (Benzoylethylecgonine)
  • 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, ethyl ester, (1R-(exo,exo))-
Show all 33 synonyms
  • Cocaethylene, 1mg/ml in Acetonitrile
  • Cocaethylene (1 mg/ml in Acetonitrile)
  • Cocaethylene (Benzoylethylecgonine) 0.1 mg/ml in Acetonitrile
  • Cocaethylene (Benzoylethylecgonine) 1.0 mg/ml in Acetonitrile
  • (1R,2R,3S,5S)-3-(Benzoyloxy)-8-methyl-8-azabicyclo(3.2.1)octane-2-carboxylic acid ethyl ester
  • [1R-(exo,exo)]-3-(Benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid ethyl ester
  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, ethyl ester, (1R,2R,3S,5S)-
  • 8-Azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(benzoyloxy)-8-methyl-, ethyl ester, (1R,2R,3S,5S)- (9CI)

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
317.39 g/molcalc.
Exact mass
317.1627 Dacalc.
LogP (octanol/water)
2.26calc.
Topological polar surface area
55.84 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
23calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
4calc.
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, O=C(OC1CC2CCC(C1)N2)c1ccccc1

O=C(OC1CC2CCC(C1)N2)c1ccccc1

3 rings, 17 atoms.

125 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H301Toxic if swallowed.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P405Store locked up.
  • 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

Cocaethylene suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 2 suppliers
  • Pro Test
    Poland, Warszawa ManufacturerUnclaimed profile
    CocaethyleneGrade, purity and minimum order on request
    Price on request
    View
  • Avantor Inc.
    United States, Radnor ManufacturerUnclaimed profile
    CocaethyleneGrade, purity and minimum order on request
    Price on request
    View

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

2 suppliers in 2 countries

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Cocaethylene price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Dopamine Uptake Inhibitors

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 Cocaethylene is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Cocaethylene is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Cocaethylene?

Cocaethylene is a benzoate ester.

What is the CAS number of Cocaethylene?

The CAS registry number of Cocaethylene is 529-38-4.

What is the molecular formula and weight of Cocaethylene?

The molecular formula of Cocaethylene is C18H23NO4 and its molar mass is 317.39 g/mol.

What is Cocaethylene used for?

Known uses and roles of Cocaethylene include building blocks in research and laboratory, screening compounds in research and laboratory and dopamine uptake inhibitors.

Is Cocaethylene hazardous?

Cocaethylene carries the GHS signal word "Danger". Main hazards: toxic if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Cocaethylene?

Cocaethylene is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cocaethylene?

CompoundList lists 2 suppliers of Cocaethylene in Poland and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Cocaethylene?

Suppliers quote Cocaethylene 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 Cocaethylene

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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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