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Ethacizine

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Chemistry

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Also known as: Etacizin, Ethacizin, Ethacyzin, 33414-33-4, Etmozine daa, Nik-244

Molecular Formula

C₂₂H₂₇N₃O₃S

Molecular Weight

413.5 g/mol

InChI Key

PQXGNJKJMFUPPM-UHFFFAOYSA-N

FDA UNII

FE5SPV1Z6G

1 2D Structure

Ethacizine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl N-[10-[3-(diethylamino)propanoyl]phenothiazin-2-yl]carbamate

2.1.2 InChI

InChI=1S/C22H27N3O3S/c1-4-24(5-2)14-13-21(26)25-17-9-7-8-10-19(17)29-20-12-11-16(15-18(20)25)23-22(27)28-6-3/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,27)

2.1.3 InChI Key

PQXGNJKJMFUPPM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN(CC)CCC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)NC(=O)OCC

2.2 Other Identifiers

2.2.1 UNII

FE5SPV1Z6G

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 10-(3-(diethylamino)-1-oxopropyl)-10h-(phenothiazin-2-yl)carbamic Acid Ethyl Ester

2. 2-(ethoxycarbonylamino)-10-(3-(diethylamino)propionyl)phenothiazine

3. Etacizin

4. Etacyzine

5. Etatsizin

6. Etatsizine

7. Nik 244

8. Nik0244

2.3.2 Depositor-Supplied Synonyms

1. Etacizin

2. Ethacizin

3. Ethacyzin

4. 33414-33-4

5. Etmozine Daa

6. Nik-244

7. Fe5spv1z6g

8. Nsc-621878

9. Ethyl N-[10-[3-(diethylamino)propanoyl]phenothiazin-2-yl]carbamate

10. Ez-55

11. Ethmozine Daa

12. Ez 55

13. Unii-fe5spv1z6g

14. Brn 4827533

15. Ethyl (10-(3-(diethylamino)-1-oxopropyl)-10h-phenothiazin-2-yl)carbamate

16. Phenothiazine-2-carbamic Acid, 10-(n,n-diethyl-beta-alanyl)-, Ethyl Ester

17. Ethacizine [mart.]

18. Ethacizine [who-dd]

19. Oprea1_817639

20. Chembl1997663

21. Schembl22882766

22. Dtxsid50187057

23. Chebi:134732

24. Zinc4182572

25. Nsc621878

26. Stk995917

27. Akos001680764

28. Db13645

29. Nsc 621878

30. Carbamic Acid, (10-(3-(diethylamino)-1-oxopropyl)-10h-phenothiazin-2-yl)-, Ethyl Ester

31. Nci60_006381

32. D10503

33. Q15408408

34. Ethyl [10-(n,n-diethyl-beta-alanyl)-10h-phenothiazin-2-yl]carbamate

35. Ethyl 10-(3-(diethylamino)propionyl)phenothiazine-2-carbamate

36. Ethyl N-{10-[3-(diethylamino)propanoyl]-10h-phenothiazin-2-yl}carbamate

37. 4596-66-1

2.4 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₇N₃O₃S
Molecular Weight	413.5 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	413.17731291 g/mol
Monoisotopic Mass	413.17731291 g/mol
Topological Polar Surface Area	87.2 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	557
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anti-Arrhythmia Agents

Agents used for the treatment or prevention of cardiac arrhythmias. They may affect the polarization-repolarization phase of the action potential, its excitability or refractoriness, or impulse conduction or membrane responsiveness within cardiac fibers. Anti-arrhythmia agents are often classed into four main groups according to their mechanism of action: sodium channel blockade, beta-adrenergic blockade, repolarization prolongation, or calcium channel blockade. (See all compounds classified as Anti-Arrhythmia Agents.)

Psychotropic Drugs

A loosely defined grouping of drugs that have effects on psychological function. Here the psychotropic agents include the antidepressive agents, hallucinogens, and tranquilizing agents (including the antipsychotics and anti-anxiety agents). (See all compounds classified as Psychotropic Drugs.)

4.2 ATC Code

C - Cardiovascular system

C01 - Cardiac therapy

C01B - Antiarrhythmics, class i and iii

C01BC - Antiarrhythmics, class ic

C01BC09 - Ethacizine

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