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2D Structure
Also known as: 56776-32-0, Etifoxine hcl, Etifoxine (hydrochloride), Stresam, 6-chloro-n-ethyl-4-methyl-4-phenyl-4h-3,1-benzoxazin-2-amine monohydrochloride, Nbl8010wh5
Molecular Formula
C17H18Cl2N2O
Molecular Weight
337.2  g/mol
InChI Key
SCBJXEBIMVRTJE-UHFFFAOYSA-N
FDA UNII
NBL8010WH5

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
6-chloro-N-ethyl-4-methyl-4-phenyl-1H-3,1-benzoxazin-2-imine;hydrochloride
2.1.2 InChI
InChI=1S/C17H17ClN2O.ClH/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12;/h4-11H,3H2,1-2H3,(H,19,20);1H
2.1.3 InChI Key
SCBJXEBIMVRTJE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCN=C1NC2=C(C=C(C=C2)Cl)C(O1)(C)C3=CC=CC=C3.Cl
2.2 Other Identifiers
2.2.1 UNII
NBL8010WH5
2.3 Synonyms
2.3.1 MeSH Synonyms

1. 2-ethylamino-6-chloro-4-methyl-4-phenyl-4h-3,1-benzoxazine

2. Etafenoxine

3. Etafenoxine Hydrochloride

4. Etifoxin

5. Etifoxine

6. Hoe 36801

7. Stresam

2.3.2 Depositor-Supplied Synonyms

1. 56776-32-0

2. Etifoxine Hcl

3. Etifoxine (hydrochloride)

4. Stresam

5. 6-chloro-n-ethyl-4-methyl-4-phenyl-4h-3,1-benzoxazin-2-amine Monohydrochloride

6. Nbl8010wh5

7. Hoe 36-801 (hydrochloride)

8. Etifoxin

9. 6-chloro-2-n-ethyl-4-methyl-4-phenyl-4h-3,1-benzoxazin-2-amine Hydrochloride

10. 6-chloro-n-ethyl-4-methyl-4-phenyl-3,1-benzoxazin-2-amine;hydrochloride

11. Unii-nbl8010wh5

12. Einecs 260-380-0

13. Stresam (tn)

14. Hoe-36801 Hydrochloride

15. Mls006010668

16. Schembl547700

17. Dtxsid50972228

18. Hoe-36-801

19. Bcp20603

20. Etifoxine Hydrochloride [mi]

21. 6-chloro-n-ethyl-4-methyl-4-phenyl-3,1-benzoxazin-2-amine Hydrochloride

22. Akos024457433

23. Cs-1103

24. Etifoxine Hydrochloride [mart.]

25. Etifoxine Hydrochloride [who-dd]

26. Bs-17088

27. Etifoxine Hydrochloride, >=98% (hplc)

28. Hy-16579

29. Smr002529561

30. Ft-0668419

31. D07930

32. Hoe 36-801 Hydrochloridehoe 36-801 Hydrochloride

33. Q27284779

34. 6-chloro-n-ethyl-4-methyl-4-phenyl-4h-3,1-benzoxazin-2-amine Hcl

35. 4h-3,1-benzoxazin-2-amine, 6-chloro-n-ethyl-4-methyl-4-phenyl-, Monohydrochloride

36. 6-chloro-n-ethyl-4-methyl-4-phenyl-1h-3,1-benzoxazin-2-imine;hydrochloride

37. 6-chloro-n-ethyl-4-methyl-4-phenyl-1,4-dihydro-2h-3,1-benzoxazin-2-imine--hydrogen Chloride (1/1)

2.4 Create Date
2019-01-15
3 Chemical and Physical Properties
Molecular Weight 337.2 g/mol
Molecular Formula C17H18Cl2N2O
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass336.0796186 g/mol
Monoisotopic Mass336.0796186 g/mol
Topological Polar Surface Area33.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Anti-Anxiety Agents

Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here. (See all compounds classified as Anti-Anxiety Agents.)