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Scopolamine-d3 (hydrobromide)

CAT: 0804-HY-W010892S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W010892S-01Size:1 mg
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Description
Scopolamine-d3 hydrobromide is the deuterium labeled Scopolamine hydrobromide. Scopolamine (Hyoscine) hydrochloride is a high-affinity muscarinic antagonist that can cross the blood-brain barrier. Scopolamine hydrochloride competitively antagonizes 5-HT3 receptors with an IC50 of 2.09 μM. Scopolamine hydrochloride can induce cognitive and memory deficits in animals. Scopolamine hydrochloride can be used in the research of preventing postoperative nausea and vomiting, motion sickness, nervous system diseases, etc[1][2][3][4][5].
CAS Number
1279037-70-5
Product Name Alternative
Hyoscine-d3 (hydrobromide)
UNSPSC
12352005
Hazard Statement
H300, H310, H330
Target
5-HT Receptor; Isotope-Labeled Compounds; mAChR
Type
Isotope-Labeled Compounds
Related Pathways
GPCR/G Protein; Neuronal Signaling; Others
Field of Research
Neurological Disease
Purity
98.01
Solubility
10 mM in DMSO
Smiles
O=C([C@@H](C1=CC=CC=C1)CO)O[C@H]2C[C@H]3[C@@H]4O[C@@H]4[C@H](N3C([2H])([2H])[2H])C2.Br
Molecular Formula
C17H19D3BrNO4
Molecular Weight
387.28
Precautions
H300, H310, H330
References & Citations
[1]Lochner M, et al. The muscarinic antagonists Scopolamine and atropine are competitive antagonists at 5-HT3 receptors. Neuropharmacology. 2016 Sep;108:220-8.|[2]O ET, et al. COGNITIVE-ENHANCING PROPERTIES OF MORINDA LUCIDA (RUBIACEAE) AND PELTOPHORUM PTEROCARPUM (FABACEAE) IN SCOPOLAMINE-INDUCED AMNESIC MICE. Afr J Tradit Complement Altern Med. 2017 Mar 1;14 (3) :136-141.|[3]Pattanashetti LA, et al. Evaluation of neuroprotective effect of Quercetin with Donepezil in Scopolamine-induced amnesia in rats. Indian J Pharmacol. 2017 Jan-Feb;49 (1) :60-64.|[4]Yadang FSA, et al. Scopolamine-Induced Memory Impairment in Mice: Neuroprotective Effects of Carissa edulis (Forssk.) Valh (Apocynaceae) Aqueous Extract. Int J Alzheimers Dis. 2020 Aug 31;2020:6372059.|[5]Klinkenberg I, et al. The validity of scopolamine as a pharmacological model for cognitive impairment: a review of animal behavioral studies. Neurosci Biobehav Rev. 2010 Jul;34 (8) :1307-50.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Scopolamine-d3 Hydrobromide
CAS Number1279037-70-5
PubChem CID71752169
IUPAC Name[(1S,2S,4R,5R)-9-(trideuteriomethyl)-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate;hydrobromide
Molecular FormulaC17H22BrNO4
Molecular Weight387.3
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity418
SMILES
[2H]C([2H])([2H])N1[C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@H](CO)C4=CC=CC=C4.Br
InChI
InChI=1S/C17H21NO4.BrH/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;1H/t11?,12-,13-,14+,15-,16+;/m1./s1/i1D3;
InChIKey
WTGQALLALWYDJH-OKZBSECCSA-N
Chemical Structure
2D Structure
2D structure of Scopolamine-d3 Hydrobromide
CAS: 1279037-70-5
CID: 71752169
Formula: C17H22BrNO4
MW: 387.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass386.09205
Monoisotopic Mass386.09205
Topological Polar Surface Area62.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity418
Isotope Atom Count3
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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