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Technical details about (1R,2S)-N-Pyrrolidinyl-L- Norephedrine HCl, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 210558-66-0, 72qsq2q85m, 528ke5n016, (1r,2s)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol;hydrochloride, 1-phenyl-2-(pyrrolidin-1-yl)propan-1-ol hydrochloride, threo-, (1r,2s)-(+)-1-phenyl-2-(1-pyrrolidinyl)propan-1-ol hydrochloride
Molecular Formula
C13H20ClNO
Molecular Weight
241.76  g/mol
InChI Key
PMKBLGNPWCWAAH-JZKFLRDJSA-N
FDA UNII
72QSQ2Q85M

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(1R,2S)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol;hydrochloride
2.1.2 InChI
InChI=1S/C13H19NO.ClH/c1-11(14-9-5-6-10-14)13(15)12-7-3-2-4-8-12;/h2-4,7-8,11,13,15H,5-6,9-10H2,1H3;1H/t11-,13-;/m0./s1
2.1.3 InChI Key
PMKBLGNPWCWAAH-JZKFLRDJSA-N
2.1.4 Canonical SMILES
CC(C(C1=CC=CC=C1)O)N2CCCC2.Cl
2.1.5 Isomeric SMILES
C[C@@H]([C@@H](C1=CC=CC=C1)O)N2CCCC2.Cl
2.2 Other Identifiers
2.2.1 UNII
72QSQ2Q85M
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. 210558-66-0

2. 72qsq2q85m

3. 528ke5n016

4. (1r,2s)-1-phenyl-2-pyrrolidin-1-ylpropan-1-ol;hydrochloride

5. 1-phenyl-2-(pyrrolidin-1-yl)propan-1-ol Hydrochloride, Threo-

6. (1r,2s)-(+)-1-phenyl-2-(1-pyrrolidinyl)propan-1-ol Hydrochloride

7. 1-phenyl-2-(pyrrolidin-1-yl)propan-1-ol Hydrochloride, (1r,2s)-

8. Unii-72qsq2q85m

9. Schembl8002216

10. Unii-528ke5n016

11. Threo-dihydro-alpha-pyrrolidinopropiophenone Hydrochloride

12. (+)-threo-dihydro-alpha-pyrrolidinopropiophenone Hydrochloride

13. (1r,2s)-1-phenyl-2-(pyrrolidin-1-yl)propan-1-ol Hydrochloride

14. Threo-dihydro-.alpha.-pyrrolidinopropiophenone Hydrochloride

15. (+)-threo-dihydro-.alpha.-pyrrolidinopropiophenone Hydrochloride

16. 1-pyrrolidineethanol, Beta-methyl-alpha-phenyl-, Hydrochloride (1:1), (alphar,betas)-

17. 1-pyrrolidineethanol, Beta-methyl-alpha-phenyl-, Hydrochloride (1:1), (alphar,betas)-rel-

18. 1-pyrrolidineethanol, Beta-methyl-alpha-phenyl-, Hydrochloride, (alphar,betas)-

19. 1-pyrrolidineethanol, .beta.-methyl-.alpha.-phenyl-, Hydrochloride (1:1), (.alpha.r,.beta.s)-

20. 1-pyrrolidineethanol, .beta.-methyl-.alpha.-phenyl-, Hydrochloride (1:1), (.alpha.r,.beta.s)-rel-

21. 1-pyrrolidineethanol, .beta.-methyl-.alpha.-phenyl-, Hydrochloride, (.alpha.r,.beta.s)-

2.4 Create Date
2012-12-01
3 Chemical and Physical Properties
Molecular Weight 241.76 g/mol
Molecular Formula C13H20ClNO
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass241.1233420 g/mol
Monoisotopic Mass241.1233420 g/mol
Topological Polar Surface Area23.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity183
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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