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Sarolaner

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ACTIVE PHARMA INGREDIENTS

3 API Suppliers, 2 NDC API, 2 VMF, 3 Listed Suppliers, $ API Reference Price

3 API Suppliers
2 NDC API
2 VMF
3 Listed Suppliers
$ API Reference Price

INTERMEDIATES

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1 Intermediates Suppliers

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13 FDF Dossiers, 13 Canada

13 FDF Dossiers
13 Canada

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3 APIs

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3 APIs

Synopsis

ACTIVE PHARMA INGREDIENTS

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API REF. PRICE (USD/KG)

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Chemistry

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Also known as: 1398609-39-6, Simparica, Pf-6450567, Dm113ftw7f, 1-(5'-((5s)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-3'-h-spiro(azetidine-3,1'-(2)benzofuran)-1-yl)-2-(methylsulfonyl)ethanone, Ethanone, 1-(5'-((5s)-5-(3,5-dichloro-4-fluorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl)spiro(azetidine-3,1'(3'h)-isobenzofuran)-1-yl)-2-(methylsulfonyl)-

Molecular Formula

C₂₃H₁₈Cl₂F₄N₂O₅S

Molecular Weight

581.4 g/mol

InChI Key

FLEFKKUZMDEUIP-QFIPXVFZSA-N

FDA UNII

DM113FTW7F

1 2D Structure

Sarolaner

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[6-[(5S)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]spiro[1H-2-benzofuran-3,3'-azetidine]-1'-yl]-2-methylsulfonylethanone

2.1.2 InChI

InChI=1S/C23H18Cl2F4N2O5S/c1-37(33,34)9-19(32)31-10-21(11-31)15-3-2-12(4-13(15)8-35-21)18-7-22(36-30-18,23(27,28)29)14-5-16(24)20(26)17(25)6-14/h2-6H,7-11H2,1H3/t22-/m0/s1

2.1.3 InChI Key

FLEFKKUZMDEUIP-QFIPXVFZSA-N

2.1.4 Canonical SMILES

CS(=O)(=O)CC(=O)N1CC2(C1)C3=C(CO2)C=C(C=C3)C4=NOC(C4)(C5=CC(=C(C(=C5)Cl)F)Cl)C(F)(F)F

2.1.5 Isomeric SMILES

CS(=O)(=O)CC(=O)N1CC2(C1)C3=C(CO2)C=C(C=C3)C4=NO[C@@](C4)(C5=CC(=C(C(=C5)Cl)F)Cl)C(F)(F)F

2.2 Other Identifiers

2.2.1 UNII

DM113FTW7F

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Simparica

2.3.2 Depositor-Supplied Synonyms

1. 1398609-39-6

2. Simparica

3. Pf-6450567

4. Dm113ftw7f

5. 1-(5'-((5s)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-3'-h-spiro(azetidine-3,1'-(2)benzofuran)-1-yl)-2-(methylsulfonyl)ethanone

6. Ethanone, 1-(5'-((5s)-5-(3,5-dichloro-4-fluorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl)spiro(azetidine-3,1'(3'h)-isobenzofuran)-1-yl)-2-(methylsulfonyl)-

7. (s)-1-(5'-(5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-3'h-spiro[azetidine-3,1'-isobenzofuran]-1-yl)-2-(methylsulfonyl)ethan-1-one

8. (s)-1-(5'-(5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4,5-dihydroisoxazol-3-yl)-3'h-spiro[azetidine-3,1'-isobenzofuran]-1-yl)-2-(methylsulfonyl)ethanone

9. 1-[5'-[(5s)-5-(3,5-dichloro-4-fluorophenyl)-4,5-dihydro-5-(trifluoromethyl)-3-isoxazolyl]spiro[azetidine-3,1'(3'h)-isobenzofuran]-1-yl]-2-(methylsulfonyl)ethanone

10. 1-[6-[(5s)-5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-4h-1,2-oxazol-3-yl]spiro[1h-2-benzofuran-3,3'-azetidine]-1'-yl]-2-methylsulfonylethanone

11. Sarolaner [usan]

12. Sarolaner [usan:inn]

13. Unii-dm113ftw7f

14. Sarolaner [inn]

15. Sarolaner [mi]

16. Sarolaner (usan/inn)

17. Sarolaner(pf-6450567)

18. Sarolaner [green Book]

19. Chembl3137302

20. Schembl12097270

21. Dtxsid101336934

22. Ex-a5583

23. Sarolaner [ema Epar Veterinary]

24. Hy-16730

25. Stronghold Plus Component Sarolaner

26. Cs-0012328

27. Sarolaner Component Of Stronghold Plus

28. D10668

29. Q27276475

2.4 Create Date

2014-03-15

3 Chemical and Physical Properties

Molecular Formula	C₂₃H₁₈Cl₂F₄N₂O₅S
Molecular Weight	581.4 g/mol
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	4
Exact Mass	580.0249609 g/mol
Monoisotopic Mass	580.0249609 g/mol
Topological Polar Surface Area	93.6 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	1050
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Drug and Medication Information

4.1 Drug Indication

For the treatment of tick infestations (Dermacentor reticulatus, Ixodes hexagonus, Ixodes ricinus and Rhipicephalus sanguineus). The veterinary medicinal product has immediate and persistent tick killing activity for at least 5 weeks.

For the treatment of flea infestations (Ctenocephalides felis and Ctenocephalides canis). The veterinary medicinal product has immediate and persistent flea killing activity against new infestations for at least 5 weeks. The veterinary medicinal product can be used as part of a treatment strategy for the control of Flea Allergy Dermatitis (FAD).

For the treatment of sarcoptic mange (Sarcoptes scabiei).

For the treatment of ear mite infestations (Otodectes cynotis).

For the treatment of demodicosis (Demodex canis).

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

5 Pharmacology and Biochemistry

5.1 ATC Code

QP53BE03

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API Reference Price

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