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Scopine

CAT: 0013-GTR19168199-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19168199-02Size:1 ml x 10 mM (in DMSO)
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Description
Scopine (6,7-Epoxytropine) is a metabolite of anisodine and functions as an α1-adrenergic receptor agonist. It is utilized in research applications related to acute circulatory shock, serving as a tool compound for both in vitro receptor binding assays and in vivo pharmacological studies.
CAS Number
498-45-3
Product Name Alternative
Beta Receptor, 6,7-Epoxytropine, AdrenergicReceptor, Adrenergic Receptor, inhibit, Inhibitor, α1-adrenergic receptor, Scopine
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery
Purity
95.44% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (12.89 mM) ; DMSO:50 mg/mL (322.19 mM) ; H2O:< 1 mg/mL (insoluble or slightly soluble) ; Ethanol:< 1 mg/mL (insoluble or slightly soluble)
Smiles
CN1C2CC (O) CC1C1OC21
Molecular Formula
C8H13NO2
Molecular Weight
155.19
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

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 with data available.

CAS Number498-45-3
PubChem CID1274465
IUPAC Name(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
Molecular FormulaC8H13NO2
Molecular Weight155.19
XLogP-0.2
Topological Polar Surface Area36
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity179
SMILES
CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)O
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+
InChIKey
FIMXSEMBHGTNKT-UPGAHCIJSA-N
Chemical Structure
2D Structure
2D structure of Scopine
CAS: 498-45-3
CID: 1274465
Formula: C8H13NO2
MW: 155.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight155.19
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass155.094628657
Monoisotopic Mass155.094628657
Topological Polar Surface Area36 Ų
Heavy Atom Count11
Formal Charge0
Complexity179
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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