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Tiemonium (iodide)

CAT: 0804-HY-137040ASize: 1 EachDry Ice: NoHazardous: No
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Description
Tiemonium iodide is a mAChR antagonist with antispasmodic properties. Tiemonium iodide can be used in nervous system research[1].
CAS Number
144-12-7
UNSPSC
12352005
Target
MAChR
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/tiemonium-iodide.html
Smiles
OC(C1=CC=CC=C1)(CC[N+]2(CCOCC2)C)C3=CC=CS3.[I-]
Molecular Formula
C18H24INO2S
Molecular Weight
445.36
References & Citations
[1]Aiache, et al. "Influence of tiemonium on the gastrointestinal absorption of aspirin." International journal of pharmaceutics 16.2 (1983) : 241-251.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Tiemonium Iodide

Tiemonium iodide is an aralkylamine.

CAS Number144-12-7
PubChem CID72142
IUPAC Name3-(4-methylmorpholin-4-ium-4-yl)-1-phenyl-1-thiophen-2-ylpropan-1-ol iodide
Molecular FormulaC18H24INO2S
Molecular Weight445.4
Topological Polar Surface Area57.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity353
SMILES
C[N+]1(CCOCC1)CCC(C2=CC=CC=C2)(C3=CC=CS3)O.[I-]
InChI
InChI=1S/C18H24NO2S.HI/c1-19(11-13-21-14-12-19)10-9-18(20,17-8-5-15-22-17)16-6-3-2-4-7-16;/h2-8,15,20H,9-14H2,1H3;1H/q+1;/p-1
InChIKey
IOFXEUZPIIUQAG-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Tiemonium Iodide
CAS: 144-12-7
CID: 72142
Formula: C18H24INO2S
MW: 445.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight445.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass445.05725
Monoisotopic Mass445.05725
Topological Polar Surface Area57.7 Ų
Heavy Atom Count23
Formal Charge0
Complexity353
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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