CAS 135261-74-4

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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

CAS 135261-74-4

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 Formula	C₂₀H₂₈ClNO₃
Molecular Weight	365.9 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	41.9
Heavy Atom Count	25
Formal Charge	0
Complexity	337
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