(1S,2R)-D-Nmethylephedrine Base manufacturers and suppliers on PharmaCompass

Chemistry

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Also known as: (+)-methylephedrine, (1s,2r)-(+)-n-methylephedrine, Methylephedrine, (+)-, 42151-56-4, D-n-methylephedrine, Methylephedrine, d-
Molecular Formula
C11H17NO
Molecular Weight
179.26  g/mol
InChI Key
FMCGSUUBYTWNDP-MWLCHTKSSA-N
FDA UNII
VP306Z33KI

(1S,2R)-D-Nmethylephedrine Base
1 2D Structure

(1S,2R)-D-Nmethylephedrine Base

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1S,2R)-2-(dimethylamino)-1-phenylpropan-1-ol
2.1.2 InChI
InChI=1S/C11H17NO/c1-9(12(2)3)11(13)10-7-5-4-6-8-10/h4-9,11,13H,1-3H3/t9-,11-/m1/s1
2.1.3 InChI Key
FMCGSUUBYTWNDP-MWLCHTKSSA-N
2.1.4 Canonical SMILES
CC(C(C1=CC=CC=C1)O)N(C)C
2.1.5 Isomeric SMILES
C[C@H]([C@H](C1=CC=CC=C1)O)N(C)C
2.2 Other Identifiers
2.2.1 UNII
VP306Z33KI
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. (+)-methylephedrine

2. (1s,2r)-(+)-n-methylephedrine

3. Methylephedrine, (+)-

4. 42151-56-4

5. D-n-methylephedrine

6. Methylephedrine, D-

7. (1s,2r)-2-(dimethylamino)-1-phenylpropan-1-ol

8. (1s,2r)-n-methylephedrine

9. N-methylephedrine D-form [mi]

10. L-(+)-erythro-n-methylephedrine

11. (1s,2r)-2-dimethylamino-1-phenylpropanol

12. Vp306z33ki

13. Unii-vp306z33ki

14. R,s-(-)-n-methylephedrine

15. S,r-(+)-n-methylephedrine

16. N-methylephedrine, D-

17. Schembl2712293

18. Dtxsid20962313

19. Dtxsid701021165

20. 1201-56-5

21. Zinc3643826

22. Benzenemethanol, Alpha-((1r)-1-(dimethylamino)ethyl)-, (alphas)-

23. Akos025405530

24. (1s,2r)-(+)-n-methylephedrine, 99%

25. J-500060

26. Q27291941

27. Benzenemethanol, .alpha.-((1r)-1-(dimethylamino)ethyl)-, (.alpha.s)-

2.4 Create Date
2005-06-24
3 Chemical and Physical Properties
Molecular Weight 179.26 g/mol
Molecular Formula C11H17NO
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass179.131014166 g/mol
Monoisotopic Mass179.131014166 g/mol
Topological Polar Surface Area23.5 Ų
Heavy Atom Count13
Formal Charge0
Complexity141
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

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