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(1S,2R)-D-Nmethylephedrine Hydrochloride
PharmaCompass
  • Chemistry
(1S,2R)-D-Nmethylephedrine Hydrochloride
Also known as: D-methylephedrine hydrochloride, Unii-p982xvv768, Methylephedrine hydrochloride, (+)-, P982xvv768, 54114-10-2, (s-(r*,s*))-alpha-(1-(dimethylamino)ethyl)benzenemethanol hydrochloride
Molecular Formula
C11H18ClNO
Molecular Weight
215.721  g/mol
InChI Key
NTCYWJCEOILKNG-FOKYBFFNSA-N
FDA UNII
P982XVV768

1 2D Structure

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

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1S,2R)-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-;/m1./s1
2.1.3 InChI Key
NTCYWJCEOILKNG-FOKYBFFNSA-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
P982XVV768
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. D-methylephedrine Hydrochloride

2. Unii-p982xvv768

3. Methylephedrine Hydrochloride, (+)-

4. P982xvv768

5. 54114-10-2

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

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

8. 18760-80-0

9. Rac-methyl Ephedrine Hydrochloride

10. Ac1mib8o

11. Dtxsid00202461

12. (+/-)-n-methylephedrine Hydrochloride

13. Ls-30714

14. Unii-99214p83xm Component Ntcywjceoilkng-fokybffnsa-n

15. (1s,2r)-2-(dimethylamino)-1-phenylpropan-1-ol Hydrochloride

16. (

17. As)-rel-

18. A-[(1r)-1-(dimethylamino)ethyl]benzenemethanol Hydrochloride

2.4 Create Date
2005-08-09
3 Chemical and Physical Properties
Molecular Weight 215.721 g/mol
Molecular Formula C11H18ClNO
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass215.108 g/mol
Monoisotopic Mass215.108 g/mol
Topological Polar Surface Area23.5 A^2
Heavy Atom Count14
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 Count2
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