CAS 82857-40-7

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Also known as: 82857-40-7, 107674-15-7, N-methyl-gamma-(2-methylphenoxy)benzenepropanamine hydrochloride, Ly 135252, Ly135252, N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine hydrochloride

Molecular Formula

C₁₇H₂₂ClNO

Molecular Weight

291.8 g/mol

InChI Key

LUCXVPAZUDVVBT-UHFFFAOYSA-N

FDA UNII

LF67S77AXQ

1 2D Structure

CAS 82857-40-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;hydrochloride

2.1.2 InChI

InChI=1S/C17H21NO.ClH/c1-14-8-6-7-11-16(14)19-17(12-13-18-2)15-9-4-3-5-10-15;/h3-11,17-18H,12-13H2,1-2H3;1H

2.1.3 InChI Key

LUCXVPAZUDVVBT-UHFFFAOYSA-N

2.2 Other Identifiers

2.2.1 UNII

LF67S77AXQ

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 3-(2-methoxyphenoxy)-n-methyl-3-phenylpropylamine

2. 3-(o-methoxyphenoxy)-n-methyl-3-phenylpropylamine

3. Dl-n-methyl-3-(o-methoxyphenoxy)-n-methyl-3-phenylpropylamine

4. Lilly 135252

5. Lilly 94939

6. Ly 135252

7. Ly 94939

8. Ly-135252

9. N-methyl-gamma-(2-methylphenoxy)phenylpropanolamine

10. Nisoxetine

11. Nisoxetine Hydrochloride

12. Nisoxetine Hydrochloride, (+-)-isomer

13. Nisoxetine, (+-)-isomer

2.3.2 Depositor-Supplied Synonyms

1. 82857-40-7

2. 107674-15-7

3. N-methyl-gamma-(2-methylphenoxy)benzenepropanamine Hydrochloride

4. Ly 135252

5. Ly135252

6. N-methyl-3-phenyl-3-(o-tolyloxy)propan-1-amine Hydrochloride

7. N-methyl-gamma-(2-methylphenoxy)phenylpropylamine Hydrochloride

8. (rac)-atomoxetine (hydrochloride)

9. N-methyl-(3-phenyl-3-o-tolyloxy-propyl)-amine Hydrochloride

10. Benzenepropanamine, N-methyl-gamma-(2-methylphenoxy)-, Hydrochloride

11. (rac)-tomoxetine (hydrochloride); (rac)-ly 139603

12. N-methyl-3-(2-methylphenoxy)-3-phenylpropanamine Hydrochloride

13. N-methyl-gamma-(2-methylphenoxy)benzenepropan Amine Hydrochloride

14. Ly-135252

15. Starbld0018171

16. Lf67s77axq

17. Schembl649168

18. Dtxsid701338057

19. Hms3749o11

20. Bcp06578

21. Syb70395

22. Syb77638

23. Atomoxetine Hydrochloride, (+/-)-

24. Akos027327301

25. Ab25136

26. Sb17442

27. Sb38907

28. Sb82203

29. Db-266417

30. N-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine;hydrochloride

31. (3rs)-n-methyl-3-(2-methylphenoxy)-3-phenylpropan-1-amine Hydrochloride

32. Benzenepropanamine, N-methyl-gamma-(2-methylphenoxy)-, Hydrochloride (1:1)

33. Benzenepropanamine, N-methyl-gamma-(2-methylphenoxy)-, Hydrochloride, (+/-)-

34. Tomoxetine Hydrochloride; Ly 139603 Hcl; Ly-139603 Hcl; Ly139603 Hcl; (r)-tomoxetine Hydrochloride;atomoxetine Hydrochloride

2.4 Create Date

2006-06-06

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₂ClNO
Molecular Weight	291.8 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	21.3
Heavy Atom Count	20
Formal Charge	0
Complexity	237
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