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ACTIVE PHARMA INGREDIENTS

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Chemistry

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Also known as: (+/-)-eperisone hydrochloride, Nsc-757308, (1s,2s)-(+)-pseudoephedrine hydrochloride, (1r,2r)-2-(methylamino)-1-phenylpropan-1-ol hydrochloride, 670-40-6, Dl-pseudoephedrine hydrochloride

Molecular Formula

C₁₀H₁₆ClNO

Molecular Weight

201.69 g/mol

InChI Key

BALXUFOVQVENIU-UHFFFAOYSA-N

1 2D Structure

DL-Ephedrine Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(methylamino)-1-phenylpropan-1-ol;hydrochloride

2.1.2 InChI

InChI=1S/C10H15NO.ClH/c1-8(11-2)10(12)9-6-4-3-5-7-9;/h3-8,10-12H,1-2H3;1H

2.1.3 InChI Key

BALXUFOVQVENIU-UHFFFAOYSA-N

2.1.4 Canonical SMILES

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

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. (+/-)-eperisone Hydrochloride

2. Nsc-757308

3. (1s,2s)-(+)-pseudoephedrine Hydrochloride

4. (1r,2r)-2-(methylamino)-1-phenylpropan-1-ol Hydrochloride

5. 670-40-6

6. Dl-pseudoephedrine Hydrochloride

7. Dl-pseudoephedrine Hcl

8. Ephedrine Dl-form Hydrochloride

9. Ephedrine Hydrochloride, Racemic

10. Rac-ephedrine Hydrochloride

11. Schembl22823

12. 56979-55-6

13. Spectrum1500525

14. Chembl3989464

15. Niosh/do9540000

16. Hms1920n22

17. Pharmakon1600-01500525

18. Bcp24659

19. Ccg-39247

20. Nsc757308

21. Akos015895235

22. Benzenemethanol, Alpha-(1-(methylamino)ethyl)-, Hydrochloride, (r*,r*)-(+-)-

23. Ncgc00094775-01

24. Ncgc00094775-02

25. Db-042250

26. Do95400000

27. L-beta-phenyl-beta-hydroxyisopropylmethylamine Hydrochloride

28. (-)-alpha-(1-(methylamino)ethyl)benzyl Alcohol Hydrochloride

29. Benzyl Alcohol, Alpha-(1-(methylamino)ethyl)-, Hydrochloride, (-)-

30. Benzenemethanol, .alpha.-[(1r)-1-(methylamino)ethyl]-, Hydrochloride, (.alpha.s)-

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₀H₁₆ClNO
Molecular Weight	201.69 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	201.0920418 g/mol
Monoisotopic Mass	201.0920418 g/mol
Topological Polar Surface Area	32.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	121
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2