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Etifoxine

Etifoxine

Synopsis, Chemistry

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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

Etifoxine

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 Formula	C₁₇H₁₈Cl₂N₂O
Molecular Weight	337.2 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	336.0796186 g/mol
Monoisotopic Mass	336.0796186 g/mol
Topological Polar Surface Area	33.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	394
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

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.)