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Impurities and reference standards

Apohyoscine

Also known as 1alphaH,5alphaH-Tropan-3alpha-ol, 6beta,7beta-epoxy-, atropate (ester), Aposcopolamin, ((3S,6S)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)octan-3-yl) (2R)-3-hydroxy-2-phenyl-propanoate

CAS 535-26-2Formula C17H19NO3Molar mass 285.34 g/molEC 642-181-4
GHS signal word: Danger. Pictograms: Acute toxicity (severe)
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Apohyoscine chemical structure, C17H19NO3, CAS 535-26-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
535-26-2
Formula
C17H19NO3
Molar mass
285.34 g/mol
EC number
642-181-4
HS code
293399
Category
Impurities and reference standards

What is Apohyoscine?

Plain description, key identifiers and synonyms

aposcopolamine has been reported in Duboisia myoporoides, Datura inoxia, and other organisms.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
[(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate
CAS number
535-26-2
EC number
642-181-4
Molecular formula
C17H19NO3
UNII
RQ98RV32RG
MDL number
MFCD00238538
InChIKey
JJNVDCBKBUSUII-LHIUVBILSA-N
InChI
InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12?,13-,14+,15-,16+
Canonical SMILES
C=C(C(=O)OC1CC2C3OC3C(C1)N2C)c1ccccc1
Isomeric SMILES
CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(=C)C4=CC=CC=C4

Synonyms

  • 1alphaH,5alphaH-Tropan-3alpha-ol, 6beta,7beta-epoxy-, atropate (ester)
  • Aposcopolamin
  • ((3S,6S)-6-hydroxy-8-methyl-8-azabicyclo(3.2.1)octan-3-yl) (2R)-3-hydroxy-2-phenyl-propanoate
  • (1R,2R,4S,5S,7R)-9-Methyl-3-oxa-9-azatricyclo(3.3.1.0,)nonan-7-yl 2-phenylprop-2-enoic acid
  • (1R,2R,4S,5S,7R)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.0,]nonan-7-yl 2-phenylprop-2-enoic acid
  • [(3S,6S)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-3-hydroxy-2-phenyl-propanoate
  • Aposcopolamine
  • [(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate
  • (1R,2R,4S,5S,7S)-9-Methyl-3-oxa-9-azatricyclo(3.3.1.02,4)nonan-7-yl 2-phenylacrylate
  • Hyoscine EP Impurity B
  • (1R,2R,4S,5S,7s)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl 2-phenylacrylate
  • (1R,2R,4S,5S,7s)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl 2-Phenylprop-2-enoate (Apohyoscine)
  • Aposcopolamine (Standard)
  • Scopolamine HBr impurity C
  • Benzeneacetic acid, alpha-methylene-, 9-methyl-3-oxa-9-azatricyclo(3.3.1.02,4)non-7-yl ester, (1alpha,2beta,4beta,5alpha,7.beta.)-
  • Hyoscine EP Impurity B, , Hyoscine Hydrobromide EP Impurity C
  • (1R,2R,4S,5S,7S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.0,2,4]nonan-7-yl 2-phenylprop-2-enoate
  • Benzeneacetic acid, alpha-methylene-, (1alpha,2beta,4beta,5alpha,7beta)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]non-7-yl ester

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
285.34 g/molcalc.
Exact mass
285.1365 Dacalc.
LogP (octanol/water)
1.86calc.
Topological polar surface area
42.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
3calc.
Heavy atoms
21calc.
Rings
4calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.47calc.
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, C=C(C(=O)OC1CC2NC(C1)C1OC21)c1ccccc1

C=C(C(=O)OC1CC2NC(C1)C1OC21)c1ccccc1

4 rings, 20 atoms, the Npc15982 ring system.

6 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

  • H300 + H310 + H330Fatal if swallowed. Fatal in contact with skin. Fatal if inhaled.
  • H300Fatal if swallowed.
  • H301Toxic if swallowed.
  • H310Fatal in contact with skin.
  • H330Fatal if inhaled.
Precautionary statements (18)
  • P260Do not breathe 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.
  • P284In case of inadequate ventilation wear respiratory 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.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • 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

Apohyoscine suppliers

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

Frequently asked questions

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

What is Apohyoscine?

aposcopolamine has been reported in Duboisia myoporoides, Datura inoxia, and other organisms.

What is the CAS number of Apohyoscine?

The CAS registry number of Apohyoscine is 535-26-2.

What is the molecular formula and weight of Apohyoscine?

The molecular formula of Apohyoscine is C17H19NO3 and its molar mass is 285.34 g/mol.

Is Apohyoscine hazardous?

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

What is the HS code of Apohyoscine?

Apohyoscine 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 Apohyoscine?

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What is the price of Apohyoscine?

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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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