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Mesdopetam

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Chemistry

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Also known as: Irl790, Irl-790, Hd4qv8gx26, 1403894-72-3, N-[2-(3-fluoro-5-methylsulfonylphenoxy)ethyl]propan-1-amine, 1-propanamine, n-(2-(3-fluoro-5-(methylsulfonyl)phenoxy)ethyl)-

Molecular Formula

C₁₂H₁₈FNO₃S

Molecular Weight

275.34 g/mol

InChI Key

OSBPYFBXSLJHCR-UHFFFAOYSA-N

FDA UNII

HD4QV8GX26

Mesdopetam is under investigation in clinical trial NCT04435431 (A Clinical Study of Mesdopetam in Patients With Parkinson's Disease Experiencing Levodopa Induced Dyskinesia).

1 2D Structure

Mesdopetam

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[2-(3-fluoro-5-methylsulfonylphenoxy)ethyl]propan-1-amine

2.1.2 InChI

InChI=1S/C12H18FNO3S/c1-3-4-14-5-6-17-11-7-10(13)8-12(9-11)18(2,15)16/h7-9,14H,3-6H2,1-2H3

2.1.3 InChI Key

OSBPYFBXSLJHCR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCNCCOC1=CC(=CC(=C1)S(=O)(=O)C)F

2.2 Other Identifiers

2.2.1 UNII

HD4QV8GX26

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Irl790

2. N-(2-(3-fluoro-5-methylsulfonylphenoxy)ethyl)propan-1-amine

2.3.2 Depositor-Supplied Synonyms

1. Irl790

2. Irl-790

3. Hd4qv8gx26

4. 1403894-72-3

5. N-[2-(3-fluoro-5-methylsulfonylphenoxy)ethyl]propan-1-amine

6. 1-propanamine, N-(2-(3-fluoro-5-(methylsulfonyl)phenoxy)ethyl)-

7. Mesdopetam [inn]

8. Unii-hd4qv8gx26

9. Mesdopetam [who-dd]

10. Chembl4594447

11. Schembl13732678

12. Gtpl10811

13. Hy-109150

14. Cs-0115974

15. N-[2-(3-fluoro-5-methylsulfonyl-phenoxy)ethyl]propan-1-amine

16. N-{2-[3-fluoro-5-(methylsulfonyl)phenoxy]ethyl}-n-propylamine

2.4 Create Date

2013-03-21

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₈FNO₃S
Molecular Weight	275.34 g/mol
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	275.09914277 g/mol
Monoisotopic Mass	275.09914277 g/mol
Topological Polar Surface Area	63.8 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	329
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Dopamine Antagonists

Drugs that bind to but do not activate DOPAMINE RECEPTORS, thereby blocking the actions of dopamine or exogenous agonists. Many drugs used in the treatment of psychotic disorders (ANTIPSYCHOTIC AGENTS) are dopamine antagonists, although their therapeutic effects may be due to long-term adjustments of the brain rather than to the acute effects of blocking dopamine receptors. Dopamine antagonists have been used for several other clinical purposes including as ANTIEMETICS, in the treatment of Tourette syndrome, and for hiccup. Dopamine receptor blockade is associated with NEUROLEPTIC MALIGNANT SYNDROME. (See all compounds classified as Dopamine Antagonists.)

Drugs in Development