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Screening compounds

Duboisene

Also known as Hyoscyaminhydrochlorid, 1alphaH, (-)-tropate (ester), hydrochloride, 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate hydrochloride

Formula C17H24ClNO3Molar mass 325.84 g/molEC 227-686-6
GHS signal word: Danger. Pictograms: Acute toxicity (severe)
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Duboisene chemical structure, C17H24ClNO3
2D chemical structure

Key facts

What buyers check first

All properties
Formula
C17H24ClNO3
Molar mass
325.84 g/mol
EC number
227-686-6
HS code
293399
Category
Screening compounds

What is Duboisene?

Plain description, key identifiers and synonyms

Duboisene is a chemical substance with the molecular formula C17H24ClNO3 and a molar mass of 325.84 g/mol. The IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate, hydrochloride.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate, hydrochloride
EC number
227-686-6
Molecular formula
C17H24ClNO3
InChIKey
OJIPQOWZZMSBGY-UHFFFAOYSA-N
InChI
InChI=1S/C17H23NO3.ClH/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;/h2-6,13-16,19H,7-11H2,1H3;1H
SMILES (canonical and isomeric)
CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.Cl

Synonyms

  • Hyoscyaminhydrochlorid
  • 1alphaH, (-)-tropate (ester), hydrochloride
  • 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3-hydroxy-2-phenylpropanoate hydrochloride
  • [3(S)-endo]-alpha-[Hydroxymethyl]- benzeneacetic acid 8-methyl- 8-azabicyclo[3.2.1]oct-3-yl ester
  • Benzeneacetic acid, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester, hydrochloride, [3(S)-endo]-

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
325.84 g/molcalc.
Exact mass
325.1445 Dacalc.
LogP (octanol/water)
2.35calc.
Topological polar surface area
49.77 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
22calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.59calc.
Formal charge
0calc.
Stereocentres
3calc.
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, O=C(Cc1ccccc1)OC1CC2CCC(C1)N2

O=C(Cc1ccccc1)OC1CC2CCC(C1)N2

3 rings, 18 atoms.

234 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.
  • H311Toxic in contact with skin.
  • H331Toxic if inhaled.
Precautionary statements (16)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P316Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • 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

Duboisene suppliers

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

Frequently asked questions

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

What is Duboisene?

Duboisene is a chemical substance with the molecular formula C17H24ClNO3 and a molar mass of 325.84 g/mol. The IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-hydroxy-2-phenylpropanoate, hydrochloride.

What is the molecular formula and weight of Duboisene?

The molecular formula of Duboisene is C17H24ClNO3 and its molar mass is 325.84 g/mol.

What is Duboisene used for?

Known uses and roles of Duboisene include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Duboisene hazardous?

Duboisene carries the GHS signal word "Danger". Main hazards: toxic if swallowed, toxic in contact with skin, toxic if inhaled. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Duboisene?

Duboisene 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 Duboisene?

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What is the price of Duboisene?

Suppliers quote Duboisene 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 Duboisene

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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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