CAS 38455-90-2

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Also known as: 38455-90-2, (-)-methylephedrine hydrochloride, Methylephedrine hydrochloride, Methylephedrine hydrochloride, dl-, 18760-80-0, L-methylephedrine hydrochloride [jan]

Molecular Formula

C₁₁H₁₈ClNO

Molecular Weight

215.72 g/mol

InChI Key

NTCYWJCEOILKNG-ROLPUNSJSA-N

FDA UNII

8ONA78V6FO

1 2D Structure

CAS 38455-90-2

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,2S)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride

2.1.2 InChI

InChI=1S/C11H17NO.ClH/c1-9(12(2)3)11(13)10-7-5-4-6-8-10;/h4-9,11,13H,1-3H3;1H/t9-,11-;/m0./s1

2.1.3 InChI Key

NTCYWJCEOILKNG-ROLPUNSJSA-N

2.1.4 Canonical SMILES

CC(C(C1=CC=CC=C1)O)N(C)C.Cl

2.1.5 Isomeric SMILES

C[C@@H]([C@@H](C1=CC=CC=C1)O)N(C)C.Cl

2.2 Other Identifiers

2.2.1 UNII

8ONA78V6FO

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 38455-90-2

2. (-)-methylephedrine Hydrochloride

3. Methylephedrine Hydrochloride

4. Methylephedrine Hydrochloride, Dl-

5. 18760-80-0

6. L-methylephedrine Hydrochloride [jan]

7. Dl-methylephedrine Hydrochloride [jan]

8. 8ona78v6fo

9. Nsc-42289

10. 99214p83xm

11. (1r,2s)-2-(dimethylamino)-1-phenylpropan-1-ol;hydrochloride

12. Methy F

13. L-n-methylephedrine Hydrochloride

14. N-methylephedrine Hydrochloride

15. Rac-methyl Ephedrine Hydrochloride

16. L-methylephedrine Hydrochloride (jan)

17. N-methyl (-)ephedrine

18. Einecs 253-947-9

19. Nsc 42289

20. L-erythro-methylephedrine Hydrochloride

21. Unii-8ona78v6fo

22. Unii-99214p83xm

23. Dl-n-methylephedrine Hydrochloride

24. Einecs 242-557-4

25. Metheph

26. (r-(r*,s*))-alpha-(1-(dimethylamino)ethyl)benzenemethanol Hydrochloride

27. Benzenemethanol, Alpha-(1-(dimethylamino)ethyl)-, Hydrochloride, (r-(r*,s*))-

28. Schembl68363

29. Dtxsid10191776

30. (1r,2s)-2-(dimethylamino)-1-phenylpropan-1-ol Hydrochloride

31. Nsc42289

32. Methylephedrine Hydrochloride-dl

33. N-methylephedrine Hydrochloride [mi]

34. N-methylephedrine Hydrochloride, Dl-

35. Benzenemethanol,a-[1-(dimethylamino)ethyl]-

36. Methylephedrine Hydrochloride [mart.]

37. N,n-dimethylnorephedrine Hydrochloride

38. D01952

39. Methylephedrine Hydrochloride, (+/-)-

40. Methylephedrine Hydrochloride-dl [who-dd]

41. N-methylephedrine Dl-form Hydrochloride [mi]

42. 2-dimethylamino-1-phenylpropanol Hydrochloride

43. .alpha.-(1-(dimethylamino)ethyl)benzenemethanol Hydrochloride

44. (r*,s*)-(1)-alpha-(1-(dimethylamino)ethyl)benzyl Alcohol Hydrochloride

45. Erythro-.alpha.-(1-(dimethylamino)ethyl)benzyl Alcohol Hydrochloride

46. Benzenemethanol, .alpha.-(1-(dimethylamino)ethyl)-, Hydrochloride, (r*,s*)-(+/-)-

47. Benzenemethanol, Alpha-(1-(dimethylamino)ethyl)-, Hydrochloride, (r*,s*)-(+-)-

48. Benzyl Alcohol, Alpha-(1-(dimethylamino)ethyl)-, Hydrochloride, Erythro- (+-)-

49. Benzenemethanol, .alpha.-((1s)-1-(dimethylamino)ethyl)-, Hydrochloride (1:1), (.alpha.r)-

2.4 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₁₁H₁₈ClNO
Molecular Weight	215.72 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	215.1076919 g/mol
Monoisotopic Mass	215.1076919 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	141
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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