Scopoline

CAT: 0931-TN4968-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No

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CAT#:0931-TN4968-02Size:1 mL - 10 mM (in DMSO)

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

487-27-4

Target

Adrenergic Receptor, Drug Metabolite, Antifection

Related Pathways

Neuroscience, Microbiology/Virology, Metabolism, GPCR/G Protein

Bioactivity

Scopoline, tropinol, ecgonine, and granatoline derivatives are therapeutic agents of the pyrrole and pyridine group. Scopoline has fungitoxic effects, it is inhibitory to Sclerotinia at similar doses to scopoletin; as scopolin is known to be less phytotoxic than ayapin and scopoletin, its accumulation may well confer head rot resistance with minimal plant damage and might be one of the bases for resistance to Sclerotinia.

Smiles

CN1[C@H]2CC3C[C@H]1[C@H](O)[C@H]2O3

Molecular Formula

C8H13NO2

Molecular Weight

155.19

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Scopoline

scopoline has been reported in Datura stramonium with data available.

CAS Number	487-27-4
PubChem CID	25084503
IUPAC Name	(1S,3S,4S,5S,7R)-6-methyl-2-oxa-6-azatricyclo[3.3.1.03,7]nonan-4-ol
Molecular Formula	C8H13NO2
Molecular Weight	155.19
XLogP	-0.2
Topological Polar Surface Area	32.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	197

SMILES

CN1[C@H]2C[C@H]3C[C@@H]1[C@@H]([C@H]2O)O3

InChI

InChI=1S/C8H13NO2/c1-9-5-2-4-3-6(9)8(11-4)7(5)10/h4-8,10H,2-3H2,1H3/t4-,5-,6+,7-,8-/m0/s1

InChIKey

MEGPURSNXMUDAE-RLMOJYMMSA-N

Chemical Structure

2D Structure

CAS: 487-27-4

CID: 25084503

Formula: C8H13NO2

MW: 155.19

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	155.19
XLogP3	-0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	155.094628657
Monoisotopic Mass	155.094628657
Topological Polar Surface Area	32.7 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	197
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T3888-01	Scopolin
T38797-01	(-)-Scopolamine
T2183-01	Scopolamine butylbromide
T6662-01	Scopine
TYD-01315-01	Scopolamine nitrate
T5811-01	Scopolamine hydrochloride
T2182-01	Scopolamine hydrobromide trihydrate
T6663-01	Scopine hydrochloride
T2181-01	Scopolamine N-oxide HBr

Alternative Products

Catalog	Name
112033	Scopoline
TRC-S199020-100MG	Scopoline Butylbromide
sc-473215	Scopoline Methobromide
CS-T-102444	Scopoline Methoiodide-d3
TRC-S199997-100MG	Scopoline Methobromide-d3
RM-T201630-01	Tiotropium Bromide Impurity 30 (Scopoline)

Scopoline

Chemical Information

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