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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

10 KDMF

10 KDMF

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1 FDF Dossiers, 1 Listed Dossiers

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1 Listed Dossiers

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1 APIs

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1 APIs

Synopsis

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Chemistry

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Also known as: 53567-47-8, Alfospas, Maiorad, Tiropramide hcl, Tiropramide hydrochloride [mi], Tiropramide hydrochloride [mart.]

Molecular Formula

C₂₈H₄₂ClN₃O₃

Molecular Weight

504.1 g/mol

InChI Key

SVCQSEFEZWMYSA-UHFFFAOYSA-N

FDA UNII

9523013Y6R

1 2D Structure

Tiropramide Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[3-[4-[2-(diethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide;hydrochloride

2.1.2 InChI

InChI=1S/C28H41N3O3.ClH/c1-5-18-31(19-6-2)28(33)26(29-27(32)24-12-10-9-11-13-24)22-23-14-16-25(17-15-23)34-21-20-30(7-3)8-4;/h9-17,26H,5-8,18-22H2,1-4H3,(H,29,32);1H

2.1.3 InChI Key

SVCQSEFEZWMYSA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCN(CCC)C(=O)C(CC1=CC=C(C=C1)OCCN(CC)CC)NC(=O)C2=CC=CC=C2.Cl

2.2 Other Identifiers

2.2.1 UNII

9523013Y6R

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 53567-47-8

2. Alfospas

3. Maiorad

4. Tiropramide Hcl

5. Tiropramide Hydrochloride [mi]

6. Tiropramide Hydrochloride [mart.]

7. Tiropramide Hydrochloride [who-dd]

8. Einecs 260-634-0

9. 57227-16-4

10. 9523013y6r

11. Benzenepropanamide, Alpha-(benzoylamino)-4-(2-(diethylamino)ethoxy)- N,n-dipropyl-, Hydrochloride, (+/-)-

12. N-(3-(4-(2-(diethylamino)ethoxy)phenyl)-1-(dipropylamino)-1-oxopropan-2-yl)benzamide Hydrochloride

13. Tiropramide Hydrochloride (jan)

14. Tiropramide Hydrochloride [jan]

15. Unii-9523013y6r

16. Maiorad (tn)

17. (+-)-alpha-benzoylamino-4-(2-(diethylamino)ethoxy)-n,n-dipropylbenzenepropanamide Hcl

18. N-[2-[4-(2-diethylaminoethoxy)phenyl]-1-(dipropylcarbamoyl)ethyl]benzamide Hydrochloride

19. Benzenepropanamide, Alpha-(benzoylamino)-4-(2-(diethylamino)ethoxy)-n,n-dipropyl-, Hydrochloride, (+-)-

20. Mls006010762

21. Schembl2255455

22. Dtxsid70972684

23. Mfcd01741847

24. (1)-2-benzamido-3-(p-(2-(diethylamino)ethoxy)phenyl)-n,n-dipropylpropionamide Hydrochloride

25. Dl-alpha-benzamido-p-(2-(diethylamino)ethoxy)-n,n-dipropylhydrocinnamamide Hydrochloride

26. Ac-32033

27. Smr004701453

28. Ft-0675253

29. T2978

30. D08608

31. T72584

32. Q27271728

33. Dl-.alpha.-benzamido-p-(2-(diethylamino)ethoxy)-n,n-dipropylhydrocinnamamide Hydrochloride

34. N-(3-(4-(2-(diethylamino)ethoxy)phenyl)-1-(dipropylamino)-1-oxopropan-2-yl)benzamidehydrochloride

35. N-[2-[4-(2-diethylaminoethoxy)phenyl]-1-(dipropylcarbamoyl)ethyl]benzamidehydrochloride

36. N-[3-[4-[2-(diethylamino)ethoxy]phenyl]-1-(dipropylamino)-1-oxopropan-2-yl]benzamide;hydrochloride

37. N-[3-{4-[2-(diethylamino)ethoxy]phenyl}-1-(dipropylamino)-1-oxopropan-2-yl]benzenecarboximidic Acid--hydrogen Chloride (1/1)

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₂₈H₄₂ClN₃O₃
Molecular Weight	504.1 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	15
Exact Mass	503.2914699 g/mol
Monoisotopic Mass	503.2914699 g/mol
Topological Polar Surface Area	61.9 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	561
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2