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Scopolamine

CAT: 0957-S9326-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-S9326-02Size:25 mg
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Description
Scopolamine (Skopolamin) is a tropane alkaloid derived from plants of the nightshade family, specifically Hyoscyamus niger and Atropa belladonna, with anticholinergic, antiemetic and antivertigo properties.
CAS Number
51-34-3
Synonyms
Skopolamin
Target
AChR
Activity
Neuronal Signaling
Molecular Formula
C17H21NO4
Storage Conditions
2 years -20°C liquid

Chemical Information

Boro-Scopol

Scopolamine is a tropane alkaloid that is the (S)-tropic acid ester of 6beta,7beta-epoxy-1alphaH,5alphaH-tropan-3alpha-ol. It has a role as a metabolite, an antidepressant, a muscarinic antagonist, a mydriatic agent, an antiemetic, an antispasmodic drug, an anaesthesia adjuvant and an adjuvant. It is an epoxide, a propanoate ester, a tropane alkaloid and a tertiary amino compound. It is functionally related to a (S)-tropic acid. It is a conjugate base of a scopolamine(1+).

CAS Number51-34-3
PubChem CID3000322
IUPAC Name[(1S,2S,4R,5R)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate
Molecular FormulaC17H21NO4
Molecular Weight303.35
XLogP0.9
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity418
SMILES
CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4
InChI
InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12-,13-,14+,15-,16+/m1/s1
InChIKey
STECJAGHUSJQJN-USLFZFAMSA-N
Chemical Structure
2D Structure
2D structure of Boro-Scopol
CAS: 51-34-3
CID: 3000322
Formula: C17H21NO4
MW: 303.35
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight303.35
XLogP30.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass303.14705815
Monoisotopic Mass303.14705815
Topological Polar Surface Area62.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity418
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
C6426-500Scopolamine
T38797-01(-)-Scopolamine
HY-120408-01(±) -Scopolamine

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