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Aposcopolamine (Standard)

CAT: 0804-HY-N8728RSize: 1 EachDry Ice: NoHazardous: No
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Description
Aposcopolamine (Standard) is the analytical standard of Aposcopolamine. This product is intended for research and analytical applications. Aposcopolamine is an alkaloid that can be isolated from Datura ferox. Aposcopolamin can closely binds with ACHE, ADRA2A and CHRM2. Aposcopolamine can be used for the research of Alzheimer's disease[1].
CAS Number
535-26-2
UNSPSC
12352005
Target
Adrenergic Receptor; Cholinesterase (ChE) ; Reference Standards
Type
Reference Standards
Related Pathways
GPCR/G Protein; Neuronal Signaling; Others
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/aposcopolamine-standard.html
Smiles
CN1[C@@](C2)([H])[C@]3([H])[C@@]([C@]1([H])C[C@@H]2OC(C(C4=CC=CC=C4)=C)=O)([H])O3
Molecular Formula
C17H19NO3
Molecular Weight
285.34
References & Citations
[1]Yi P, et al. Integrated meta-analysis, network pharmacology, and molecular docking to investigate the efficacy and potential pharmacological mechanism of Kai-Xin-San on Alzheimer's disease. Pharm Biol. 2020 Dec;58 (1) :932-943.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Apohyoscine

aposcopolamine has been reported in Duboisia myoporoides, Datura inoxia, and other organisms with data available.

CAS Number535-26-2
PubChem CID3083622
IUPAC Name[(1R,2R,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] 2-phenylprop-2-enoate
Molecular FormulaC17H19NO3
Molecular Weight285.34
XLogP2.6
Topological Polar Surface Area42.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count21
Formal Charge0
Complexity439
SMILES
CN1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(=C)C4=CC=CC=C4
InChI
InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12?,13-,14+,15-,16+
InChIKey
JJNVDCBKBUSUII-LHIUVBILSA-N
Chemical Structure
2D Structure
2D structure of Apohyoscine
CAS: 535-26-2
CID: 3083622
Formula: C17H19NO3
MW: 285.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight285.34
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass285.13649347
Monoisotopic Mass285.13649347
Topological Polar Surface Area42.1 Ų
Heavy Atom Count21
Formal Charge0
Complexity439
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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