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Impurities and reference standards

Scopine

Also known as (1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol, (1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)nonan-7-ol, 6,7-Epoxytropine

CAS 498-45-3Formula C8H13NO2Molar mass 155.20 g/mol
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Scopine chemical structure, C8H13NO2, CAS 498-45-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
498-45-3
Formula
C8H13NO2
Molar mass
155.20 g/mol
HS code
293399
Category
Impurities and reference standards

What is Scopine?

Plain description, key identifiers and synonyms

(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol has been reported in Datura stramonium.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
CAS number
498-45-3 CAS number cross-checkedOther or deprecated CAS: 498-46-4
Molecular formula
C8H13NO2
UNII
Z5LGM3Q28U
MDL number
MFCD06658282
InChIKey
FIMXSEMBHGTNKT-UPGAHCIJSA-N
InChI
InChI=1S/C8H13NO2/c1-9-5-2-4(10)3-6(9)8-7(5)11-8/h4-8,10H,2-3H2,1H3/t4?,5-,6+,7-,8+
Canonical SMILES
CN1C2CC(O)CC1C1OC12
Isomeric SMILES
CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)O

Synonyms

  • (1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
  • (1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)nonan-7-ol
  • 6,7-Epoxytropine
  • (1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
  • Scopin
  • Tiotropium Bromide Impurity 12
  • rel-(1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
  • Isoscopine
  • (1R,2R,4S,5S,7R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
  • Scopanol
  • Tiotropium Bromide Impurity 54
  • (1R,2R,4S,5S,7R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0?,?]nonan-7-ol
  • 1.Alpha.h,5.alpha.h-tropan-3alpha-ol, 6beta,7beta-epoxy-
  • (1R,2R,4S,5S,7R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0,2,4]nonan-7-ol
  • (1R,2R,4S,5S,7r)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-7-ol
  • Scopine, (1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
  • (1alpha,2beta,4beta,5alpha,7.beta.)-9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)nonan-7-ol
  • 3-Oxa-9-azatricyclo(3.3.1.0(2,4))nonan-7-ol, 9-methyl-, (1alpha,2beta,4beta,5alpha,7beta)-
  • 3-Oxa-9-azatricyclo(3.3.1.02,4)nonan-7-ol, 9-methyl-, (1alpha,2beta,4beta,5alpha,7.beta.)-
  • 3-Oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol, 9-methyl-, (1I+/-,2I(2),4I(2),5I+/-,7I+/-)-

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
155.20 g/molcalc.
Exact mass
155.0946 Dacalc.
LogP (octanol/water)
-0.41calc.
Topological polar surface area
36 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
0calc.
Heavy atoms
11calc.
Rings
3calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
5calc.
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, C1CC2NC(C1)C1OC21

C1CC2NC(C1)C1OC21

3 rings, 9 atoms.

17 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.

Scopine suppliers

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All 3 suppliers

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Where suppliers are based

3 suppliers in 2 countries

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

Frequently asked questions

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

What is Scopine?

(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol has been reported in Datura stramonium.

What is the CAS number of Scopine?

The CAS registry number of Scopine is 498-45-3. Other or deprecated CAS numbers: 498-46-4.

What is the molecular formula and weight of Scopine?

The molecular formula of Scopine is C8H13NO2 and its molar mass is 155.20 g/mol.

Is Scopine hazardous?

No GHS hazard classification for Scopine 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 Scopine?

Scopine 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 Scopine?

CompoundList lists 3 suppliers of Scopine in China 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 Scopine?

Suppliers quote Scopine 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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