Proketazine Maleate

Synopsis, Chemistry

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Also known as: Carfenazine maleate, Carphenazine maleate, Proketazine maleate, Proketazine, Proketazine dimaleate, Wy-2445

Molecular Formula

C₃₂H₃₉N₃O₁₀S

Molecular Weight

657.7 g/mol

InChI Key

TVPJGGZLZLUPOB-SPIKMXEPSA-N

FDA UNII

0HX1Z0A2MC

1 2D Structure

Proketazine Maleate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(Z)-but-2-enedioic acid;1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-yl]propan-1-one

2.1.2 InChI

InChI=1S/C24H31N3O2S.2C4H4O4/c1-2-22(29)19-8-9-24-21(18-19)27(20-6-3-4-7-23(20)30-24)11-5-10-25-12-14-26(15-13-25)16-17-28;2*5-3(6)1-2-4(7)8/h3-4,6-9,18,28H,2,5,10-17H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-

2.1.3 InChI Key

TVPJGGZLZLUPOB-SPIKMXEPSA-N

2.1.4 Canonical SMILES

CCC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

2.1.5 Isomeric SMILES

CCC(=O)C1=CC2=C(SC3=CC=CC=C3N2CCCN4CCN(CC4)CCO)C=C1.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

2.2 Other Identifiers

2.2.1 UNII

0HX1Z0A2MC

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Carfenazine Maleate

2. Carphenazine Maleate

3. Proketazine Maleate

4. Proketazine

5. Proketazine Dimaleate

6. Wy-2445

7. Procethazine Dimaleate

8. 2975-34-0

9. Carphenazine Maleate [usan]

10. 0hx1z0a2mc

11. Nsc-71755

12. 1-(10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-yl)-1-propanone Maleate (1:2)

13. 1-propanone, 1-(10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-10h-phenothiazin-2-yl)-, (z)-2-butenedioate (1:2)

14. Carphenazine Maleate (usan)

15. Nsc71755

16. Ncgc00181121-01

17. Einecs 221-019-2

18. Nsc 71755

19. Unii-0hx1z0a2mc

20. Carphenazine Maleate [usan:usp]

21. Proketazine (tn)

22. 1-propanone, 1-(10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)-10h-phenothiazin-2-yl)-, (2z)-2-butenedioate (1:2) (salt)

23. 1-propanone, 1-[10-[3-[4-(2-hydroxyethyl)-1-piperazinyl]propyl]-10h-phenothiazin-2-yl]-, (2z)-2-butenedioate (1:2) (salt)

24. Dsstox_cid_27830

25. Dsstox_rid_82593

26. Dsstox_gsid_47852

27. Schembl120590

28. Chembl2358147

29. Dtxsid2047852

30. Carphenazine Dimaleate [mi]

31. Carfenazine Maleate [mart.]

32. Tox21_112731

33. Carfenazine Maleate [who-dd]

34. 1-propanone, 1-(10-(3-(4-(2-hydroxyethyl)-1-piperazinyl)propyl)phenothiazin-2-yl)-, Maleate (1:2) (salt)

35. Carphenazine Maleate [orange Book]

36. Cas-2975-34-0

37. D02644

38. 1-(10-(3-(4-(2-hydroxyethyl)piperazin-1-yl)propyl)-10h-phenothiazin-2-yl)propan-1-one Di((2z)-but-2-enedioate) (salt)

39. 1-[10-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]phenothiazin-2-yl]propan-1-one; Maleic Acid

2.4 Create Date

2006-04-28

3 Chemical and Physical Properties

Molecular Formula	C₃₂H₃₉N₃O₁₀S
Molecular Weight	657.7 g/mol
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	12
Exact Mass	657.23561562 g/mol
Monoisotopic Mass	657.23561562 g/mol
Topological Polar Surface Area	222 Å²
Heavy Atom Count	46
Formal Charge	0
Complexity	674
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3