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ACTIVE PHARMA INGREDIENTS

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Also known as: Thiphenamil hcl, 548-68-5, Thiphenamil hydrochloride [usan], Tifenamil hydrochloride, 4oq4sp44r2, Thiphen

Molecular Formula

C₂₀H₂₆ClNOS

Molecular Weight

363.9 g/mol

InChI Key

MZWKCFGWAWRHDY-UHFFFAOYSA-N

FDA UNII

4OQ4SP44R2

1 2D Structure

Thiphenamil

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride

2.1.2 InChI

InChI=1S/C20H25NOS.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H

2.1.3 InChI Key

MZWKCFGWAWRHDY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN(CC)CCSC(=O)C(C1=CC=CC=C1)C2=CC=CC=C2.Cl

2.2 Other Identifiers

2.2.1 UNII

4OQ4SP44R2

2.3 Synonyms

2.3.1 MeSH Synonyms

1. S-(2-(diethylamino)ethyl)diphenylthioacetate

2. Thiphen

3. Thiphenamil

4. Tifen

5. Tifenamil

6. Trocinate

2.3.2 Depositor-Supplied Synonyms

1. Thiphenamil Hcl

2. 548-68-5

3. Thiphenamil Hydrochloride [usan]

4. Tifenamil Hydrochloride

5. 4oq4sp44r2

6. Thiphen

7. Trocinat

8. Trocinate

9. Tiphen

10. Tifen

11. Trocinate Hydrochloride

12. Thiphenamil Hydrochloride (usan)

13. S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride

14. Einecs 208-955-7

15. Unii-4oq4sp44r2

16. 2-(diethylamino)ethyl Diphenylthioacetate Hydrochloride

17. Beta-diethylaminoethyl Diphenylthioacetate Hydrochloride

18. S-(2-(diethylamino)ethyl) Diphenylthioacetate Hydrochloride

19. Diphenylthiolacetic Acid 2-diethylaminoethyl Ester Hydrochloride

20. 2-diethylaminoethylester Kyseliny Difenylthiooctove Hydrochlorid [czech]

21. Schembl123518

22. Chembl2107552

23. Dtxsid30203284

24. 4-bromomethylbenzoylchloride

25. 2-diethylaminoethylester Kyseliny Difenylthiooctove Hydrochlorid

26. Thiphenamil Hydrochloride [mi]

27. S-(2-(diethylamino)ethyl) Alpha-phenylbenzeneethanethioate Hydrochloride

28. Acetic Acid, Diphenylthio-, S-(2-(diethylamino)ethyl) Ester, Hydrochloride

29. Benzeneethanethioic Acid, Alpha-phenyl-, S-(2-(diethylamino)ethyl) Ester Hydrochloride

30. D06112

31. Q27260300

32. S-(2-(diethylamino)ethyl)diphenylthioacetate Hydrochloride

33. S-[2-(diethylamino)ethyl]alpha-phenylbenzeneethanethioate Hydrochloride

34. Benzeneethanethioic Acid, .alpha.-phenyl-, S-(2-(diethylamino)ethyl) Ester Hydrochloride

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₆ClNOS
Molecular Weight	363.9 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	9
Exact Mass	363.1423633 g/mol
Monoisotopic Mass	363.1423633 g/mol
Topological Polar Surface Area	45.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	313
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	2