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Technical details about 135261-74-4, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 135261-74-4, 1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-2-propanol hydrochloride, 86819-17-2, 1-(dimethylamino)-3-(2-(2-(3-methoxyphenyl)ethyl)phenoxy)-2-propanol hydrochloride, 4cc3tr6bea, 2-((3-dimethylamino-2-hydroxy)propoxy)-3'-methoxybibenzyl hydrochloride
Molecular Formula
C20H28ClNO3
Molecular Weight
365.9  g/mol
InChI Key
YWZCEYHTWKUNMW-UHFFFAOYSA-N
FDA UNII
4CC3TR6BEA

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;hydrochloride
2.1.2 InChI
InChI=1S/C20H27NO3.ClH/c1-21(2)14-18(22)15-24-20-10-5-4-8-17(20)12-11-16-7-6-9-19(13-16)23-3;/h4-10,13,18,22H,11-12,14-15H2,1-3H3;1H
2.1.3 InChI Key
YWZCEYHTWKUNMW-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CN(C)CC(COC1=CC=CC=C1CCC2=CC(=CC=C2)OC)O.Cl
2.2 Other Identifiers
2.2.1 UNII
4CC3TR6BEA
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 135261-74-4

2. 1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-2-propanol Hydrochloride

3. 86819-17-2

4. 1-(dimethylamino)-3-(2-(2-(3-methoxyphenyl)ethyl)phenoxy)-2-propanol Hydrochloride

5. 4cc3tr6bea

6. 2-((3-dimethylamino-2-hydroxy)propoxy)-3'-methoxybibenzyl Hydrochloride

7. Hydrolysed Sarpogrelate Hydrochloride

8. 1-(dimethylamino)-3-(2-(3-methoxyphenethyl)-phenoxy)propan-2-ol Hydrochloride

9. 1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;hydrochloride

10. 2-propanol, 1-(dimethylamino)-3-(2-(2-(3-methoxyphenyl)ethyl)phenoxy)-, Hydrochloride

11. Sarpogrelate Hydrochloride Metabolite M-1

12. 1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol Hydrochloride

13. 2-propanol, 1-(dimethylamino)-3-(2-(2-(3-methoxyphenyl)ethyl)phenoxy)-, Hydrochloride (1:1)

14. Bp-984

15. Bp984

16. 1-(dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}propan-2-ol Hydrochloride

17. Unii-4cc3tr6bea

18. Schembl10802067

19. Dtxsid901007117

20. Amy10057

21. Bcp07361

22. Mfcd01697013

23. Akos015896470

24. Ac-9007

25. 1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-2-propanolhcl

26. 2-propanol,1-(dimethylamino)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-,hydrochloride

27. Ds-18253

28. Sarpogrelateintermediatem-1,bp-984

29. Cs-0136202

30. D4355

31. Ft-0659786

32. A806911

33. 1-(dimethylamino)-3-2-2-(3-methoxyphenyl)ethylphenoxy-2-propanol Hcl

34. 1-(dimethylamino)-3-(2-(2-(3-methoxyphenyl)ethyl)phenoxy)-2-propanol Hydrochloride, (+-)-

35. 1-(dimethylamino)-3-[2-(3-methoxyphenethyl)phenoxy]-2-propanol Hydrochloride

36. 1-(dimethylamino)-3-(2-(2-(3-methoxyphenyl)ethyl)phenoxy)-2-propanol Hydrochloride, (+/-)-

37. 1-(dimethylamino)-3-{2-[2-(3-methoxyphenyl)ethyl]phenoxy}propan-2-ol--hydrogen Chloride (1/1)

2.4 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 365.9 g/mol
Molecular Formula C20H28ClNO3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass g/mol
Monoisotopic Mass g/mol
Topological Polar Surface Area41.9
Heavy Atom Count25
Formal Charge0
Complexity337
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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