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Scopolamine

CAT: 0013-GTR19277416-05Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19277416-05Size:500 mg
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Description
Scopolamine is a high-affinity (nanomolar level) muscarinic receptor antagonist that can reversibly inhibit 5-HT3 receptor responses (IC50 = 2.09 μM) . It is commonly used to induce animal models of Alzheimer's disease or memory impairment.
CAS Number
51-34-3
Purity
99.00% (May vary between batches)
Smiles
CN1[C@H]2C[C@@H] (C[C@@H]1[C@H]1O[C@@H]21) OC (=O) [C@H] (CO) c1ccccc1
Molecular Formula
C17H21NO4
Molecular Weight
303.35
Storage Conditions
-20°C
Notes
For research use only.

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
Loading 3D structure...
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

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