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Scopolamine

CAT: 0013-GTR19153989-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19153989-01Size:100 mg
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Description
Scopolamine is a high affinity (nM) muscarinic antagonist. 5-HT3 receptor-responses are reversibly inhibited by Scopolamine with an IC50 of 2.09 μM. Scopolamine can cause learning and memory impairments and galantamine can reverse the symptom. It also can
CAS Number
51-34-3
Field of Research
Pharmacology & Drug Discovery
Purity
>98%
Smiles
CN1C2CC (CC1C3C2O3) OC (C (C4=CC=CC=C4) CO) =O
Molecular Formula
C17H21NO4
Molecular Weight
303.35
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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