Scopine (6,7-Epoxytropine), a metabolite of scopolamine and anisodine (an α1-adrenergic receptor agonist), is a naturally occurring tropane alkaloid extracted from various plants such as Scopolia carniolica, Mandragora root, Senecio mikanoides (Delairea odorata), and Scopolia lurida.

Physicochemical Properties

Molecular Formula	C8H13NO2
Molecular Weight	155.19
Exact Mass	155.094
CAS #	498-45-3
Related CAS #	Scopine hydrochloride; 85700-55-6
PubChem CID	1274465
Appearance	White to off-white solid powder
Density	1.3±0.1 g/cm3
Boiling Point	281.3±40.0 °C at 760 mmHg
Flash Point	123.9±27.3 °C
Vapour Pressure	0.0±1.3 mmHg at 25°C
Index of Refraction	1.574
LogP	-0.29
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Complexity	179
Defined Atom Stereocenter Count	4
SMILES	O1[C@]2([H])[C@@]3([H])C([H])([H])C([H])(C([H])([H])[C@@]([H])([C@]12[H])N3C([H])([H])[H])O[H]
InChi Key	FIMXSEMBHGTNKT-UPGAHCIJSA-N
InChi Code	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+
Chemical Name	(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
Synonyms	6,7-Epoxytropine; Scopine
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	α1-adrenergic receptor
References	[1]. http://en.wikipedia.org/wiki/Scopine.
Additional Infomation	Scopine has been reported in Datura stramonium with data available.

Solubility Data

Solubility (In Vitro)

DMSO: 31~100 mg/mL (199.8~644.4 mM) Water: <1 mg/mL Ethanol: <1 mg/mL

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (16.11 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (16.11 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (16.11 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	6.4437 mL	32.2186 mL	64.4371 mL
	5 mM	1.2887 mL	6.4437 mL	12.8874 mL
	10 mM	0.6444 mL	3.2219 mL	6.4437 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.