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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: Propiopromazine, Propionpromazine, Propionylpromazone, Combilen, 2-propionylpromazine, Bayer 188

Molecular Formula

C₂₀H₂₄N₂OS

Molecular Weight

340.5 g/mol

InChI Key

ZQTVCQIJTREKSP-UHFFFAOYSA-N

FDA UNII

Y1BCT334I7

1 2D Structure

Propionylpromazine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one

2.1.2 InChI

InChI=1S/C20H24N2OS/c1-4-18(23)15-10-11-20-17(14-15)22(13-7-12-21(2)3)16-8-5-6-9-19(16)24-20/h5-6,8-11,14H,4,7,12-13H2,1-3H3

2.1.3 InChI Key

ZQTVCQIJTREKSP-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN(C)C

2.2 Other Identifiers

2.2.1 UNII

Y1BCT334I7

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Combolen

2. Propionylpromazine Hydrochloride

3. Propionylpromazine Ion (1+)

4. Propionylpromazine Phosphate

5. Propiopromazine

2.3.2 Depositor-Supplied Synonyms

1. Propiopromazine

2. Propionpromazine

3. Propionylpromazone

4. Combilen

5. 2-propionylpromazine

6. Bayer 188

7. 3568-24-9

8. Bay 188

9. 1497cb

10. Chembl41169

11. Y1bct334i7

12. 1-(10-(3-(dimethylamino)propyl)phenothiazin-2-yl)-1-propanone

13. 1-propanone, 1-(10-(3-(dimethylamino)propyl)-10h-phenothiazin-2-yl)-

14. 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]propan-1-one

15. 1-propanone, 1-(10-(3-(dimethylamino)propyl)phenothiazin-2-yl)-

16. 1-propanone, 1-[10-[3-(dimethylamino)propyl]phenothiazin-2-yl]-

17. 1-(10-(3-(dimethylamino)propyl)-10h-phenothiazin-2-yl)propan-1-one

18. 1-propanone, 1-[10-[3-(dimethylamino)propyl]-10h-phenothiazin-2-yl]-

19. 1-[10-(3-dimethylaminopropyl)phenothiazin-2-yl]propan-1-one Hydrochloride

20. Ncgc00015838-03

21. Einecs 222-662-1

22. Unii-y1bct334i7

23. 3-propionyl-10-(3'-dimethylaminopropyl)phenothiazin

24. Propionylpromazime

25. Lopac-p-7780

26. Lopac0_000992

27. Oprea1_305223

28. Propionylpromazine [mi]

29. Schembl1150446

30. Dtxsid3046950

31. Zinc57465

32. Propionylpromazine [mart.]

33. Bdbm50408509

34. Ccg-205072

35. Db11540

36. Sdccgsbi-0050965.p002

37. Ncgc00015838-01

38. Ncgc00015838-02

39. Ncgc00015838-04

40. Ncgc00015838-08

41. Ncgc00162309-01

42. Ncgc00162309-02

43. 10-(3-dimethylaminopropyl)-2-propionylphenothiazine

44. 2-propionyl-10-(3-dimethylaminopropyl)phenothiazine

45. Q27294135

46. 1-(10-[3-(dimethylamino)propyl]-10h-phenothiazin-2-yl)-1-propanone #

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₄N₂OS
Molecular Weight	340.5 g/mol
XLogP3	4.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	340.16093457 g/mol
Monoisotopic Mass	340.16093457 g/mol
Topological Polar Surface Area	48.8 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	428
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	1