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

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$ API Ref.Price (USD/KG) : 2,924Xls
2D Structure
Also known as: 1369852-71-0, Lotilaner [inn], Credelio, Heh4938d7k, Lotilaner (ema epar: veterinary), (s)-5-[5-(3,4,5-trichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-3-methylthiophene-2-carboxylic acid [(2,2,2-trifluoroethyl carbamoyl) methyl] amide
Molecular Formula
C20H14Cl3F6N3O3S
Molecular Weight
596.8  g/mol
InChI Key
HDKWFBCPLKNOCK-SFHVURJKSA-N
FDA UNII
HEH4938D7K

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-[(5S)-5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]thiophene-2-carboxamide
2.1.2 InChI
InChI=1S/C20H14Cl3F6N3O3S/c1-8-2-13(36-16(8)17(34)30-6-14(33)31-7-19(24,25)26)12-5-18(35-32-12,20(27,28)29)9-3-10(21)15(23)11(22)4-9/h2-4H,5-7H2,1H3,(H,30,34)(H,31,33)/t18-/m0/s1
2.1.3 InChI Key
HDKWFBCPLKNOCK-SFHVURJKSA-N
2.1.4 Canonical SMILES
CC1=C(SC(=C1)C2=NOC(C2)(C3=CC(=C(C(=C3)Cl)Cl)Cl)C(F)(F)F)C(=O)NCC(=O)NCC(F)(F)F
2.1.5 Isomeric SMILES
CC1=C(SC(=C1)C2=NO[C@@](C2)(C3=CC(=C(C(=C3)Cl)Cl)Cl)C(F)(F)F)C(=O)NCC(=O)NCC(F)(F)F
2.2 Other Identifiers
2.2.1 UNII
HEH4938D7K
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 3-methyl-n-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)-5-((5s)-5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl)-2-thiophenecarboxamide

2. Credelio

2.3.2 Depositor-Supplied Synonyms

1. 1369852-71-0

2. Lotilaner [inn]

3. Credelio

4. Heh4938d7k

5. Lotilaner (ema Epar: Veterinary)

6. (s)-5-[5-(3,4,5-trichlorophenyl)-5-trifluoromethyl-4,5-dihydroisoxazol-3-yl]-3-methylthiophene-2-carboxylic Acid [(2,2,2-trifluoroethyl Carbamoyl) Methyl] Amide

7. 3-methyl-n-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-5-[(5s)-5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4h-1,2-oxazol-3-yl]thiophene-2-carboxamide

8. 2-thiophenecarboxamide, 5-((5s)-4,5-dihydro-5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-3-isoxazolyl)-3-methyl-n-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)-

9. Lotilaner [usan:inn]

10. Unii-heh4938d7k

11. Lotilaner [mi]

12. Lotilaner (usan/inn)

13. Lotilaner [usan]

14. Lotilaner [green Book]

15. Chembl3707310

16. Schembl16860871

17. Dtxsid701027551

18. Ex-a3269

19. Ac-36763

20. Hy-116564

21. Cs-0065903

22. D11212

23. Q27279888

24. 3-methyi-n-(2-oxo-2-((2,2,2-trifluoroethyl)amino)ethyl)-5-((55)-5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4,5-dihydro-1,2-oxazol-3-yl)thiophene-2-carboxamide

2.4 Create Date
2014-08-25
3 Chemical and Physical Properties
Molecular Weight 596.8 g/mol
Molecular Formula C20H14Cl3F6N3O3S
XLogP36.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count6
Exact Mass594.972565 g/mol
Monoisotopic Mass594.972565 g/mol
Topological Polar Surface Area108 Ų
Heavy Atom Count36
Formal Charge0
Complexity868
Isotope Atom Count0
Defined Atom Stereocenter Count1
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

For the treatment of flea and tick infestations.

Fleas and ticks must attach to the host and commence feeding in order to be exposed to the active substance.

The veterinary medicinal product can be used as part of a treatment strategy for the control of flea allergy dermatitis (FAD).

* Dogs:

This veterinary medicinal product provides immediate and persistent killing activity for 1 month for fleas (Ctenocephalides felis and C. canis) and ticks (Rhipicephalus sanguineus, Ixodes ricinus, I. hexagonus and Dermacentor reticulatus).

* Cats:

This veterinary medicinal product provides immediate and persistent killing activity for 1 month against fleas (Ctenocephalides felis and C. canis) and ticks (Ixodes ricinus).


5 Pharmacology and Biochemistry
5.1 ATC Code

QP53BE04