loader
Please Wait
Applying Filters...

Bora CDMO Bora CDMO

X

Technical details about Tesofensine, learn more about the structure, uses, toxicity, action, side effects and more

Client Email Product
Menu
2D Structure
1. Also known as: 195875-84-4, Ns-2330, Tesofensine [inn], Ns 2330, Blh9ukx9v1, (1r,2r,3s,5s)-3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane
Molecular Formula
C17H23Cl2NO
Molecular Weight
328.3  g/mol
InChI Key
VCVWXKKWDOJNIT-ZOMKSWQUSA-N
FDA UNII
BLH9UKX9V1

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1R,2R,3S,5S)-3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane
2.1.2 InChI
InChI=1S/C17H23Cl2NO/c1-3-21-10-14-13(9-12-5-7-17(14)20(12)2)11-4-6-15(18)16(19)8-11/h4,6,8,12-14,17H,3,5,7,9-10H2,1-2H3/t12-,13+,14+,17+/m0/s1
2.1.3 InChI Key
VCVWXKKWDOJNIT-ZOMKSWQUSA-N
2.1.4 Canonical SMILES
CCOCC1C2CCC(N2C)CC1C3=CC(=C(C=C3)Cl)Cl
2.1.5 Isomeric SMILES
CCOC[C@H]1[C@H]2CC[C@H](N2C)C[C@@H]1C3=CC(=C(C=C3)Cl)Cl
2.2 Other Identifiers
2.2.1 UNII
BLH9UKX9V1
2.3 Synonyms
2.3.1 MeSH Synonyms

1. (1r-(2-endo,3-exo))-3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-8-azabicyclo(3,2,1)octane-2-hydroxy-1,2,3-propanetricarboxylate

2.3.2 Depositor-Supplied Synonyms

1. 195875-84-4

2. Ns-2330

3. Tesofensine [inn]

4. Ns 2330

5. Blh9ukx9v1

6. (1r,2r,3s,5s)-3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-8-azabicyclo[3.2.1]octane

7. (1r,2r,3s,5s)-3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-8-azabicyclo(3.2.1)octane

8. Unii-blh9ukx9v1

9. Tesofensine [mi]

10. Tesofensine [mart.]

11. Schembl37509

12. Tesofensine [who-dd]

13. Chembl3989690

14. Dtxsid70905114

15. Zinc3953158

16. Ns2330

17. Db06156

18. Hy-14472

19. Cs-0003378

20. J-012675

21. Q7705544

22. (1r,2r,3s)-2-ethoxymethyl-3-(3,4-dichlorophenyl)tropane

23. (1r, 2r, 3s)-2-ethoxymethyl-3-(3,4-dichlorophenyl)tropane

24. (1r-(2-endo,3-exo))-3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-8-azabicyclo(3,2,1)octane-2-hydroxy-1,2,3-propanetricarboxylate

25. 8-azabicyclo(3.2.1)octane, 3-(3,4-dichlorophenyl)-2-(ethoxymethyl)-8-methyl-, (1r-(2-endo,3-exo))-

2.4 Create Date
2006-10-26
3 Chemical and Physical Properties
Molecular Weight 328.3 g/mol
Molecular Formula C17H23Cl2NO
XLogP34.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass327.1156697 g/mol
Monoisotopic Mass327.1156697 g/mol
Topological Polar Surface Area12.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity354
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Investigated for use/treatment in alzheimer's disease, parkinson's disease, and obesity.


5 Pharmacology and Biochemistry
5.1 Mechanism of Action

Tesofensine is a Serotonin-norepinephrine-dopamine-reuptake-inhibitor (SNDRI). SNDRIs are a class of psychoactive antidepressants. They act upon neurotransmitters in the brain, namely, serotonin, norepinephrine and dopamine. These three biogenic monoamines are associated with depression and increasing the availability in the brain is one method used to treat the condition.


Post Enquiry
POST ENQUIRY