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(1R,2S)-N-Pyrrolidinyl-L- Norephedrine HCl
PharmaCompass
  • Chemistry
(1R,2S)-N-Pyrrolidinyl-L- Norephedrine HCl
Also known as: Unii-528ke5n016, 528ke5n016, Schembl8002216, (1r,2s)-1-phenyl-2-(1-pyrrolidinyl)propan-1-ol hydrochloride, 1217671-04-9, Akos027321768
Molecular Formula
C13H20ClNO
Molecular Weight
241.759  g/mol
InChI Key
PMKBLGNPWCWAAH-JZKFLRDJSA-N
FDA UNII
528KE5N016

1 2D Structure

(1R,2S)-N-Pyrrolidinyl-L- Norephedrine HCl

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
528KE5N016
2.3 Synonyms
2.3.1 Depositor-Supplied Synonyms

1. Unii-528ke5n016

2. 528ke5n016

3. Schembl8002216

4. (1r,2s)-1-phenyl-2-(1-pyrrolidinyl)propan-1-ol Hydrochloride

5. 1217671-04-9

6. Akos027321768

7. 210558-66-0

8. Threo-dihydro-alpha-pyrrolidinopropiophenone Hydrochloride

9. Unii-72qsq2q85m Component Pmkblgnpwcwaah-jzkflrdjsa-n

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

11. 1-phenyl-2-(pyrrolidin-1-yl)propan-1-ol Hydrochloride, Threo-

12. (1r,2s)-(+)-1-phenyl-2-(1-pyrrolidinyl)propan-1-ol Hydrochloride

13. 1-pyrrolidineethanol, Beta-methyl-alpha-phenyl-, Hydrochloride (1:1), (alphar,betas)-

14. 1-pyrrolidineethanol, Beta-methyl-alpha-phenyl-, Hydrochloride (1:1), (alphar,betas)-rel-

15. 1-pyrrolidineethanol, Beta-methyl-alpha-phenyl-, Hydrochloride, (alphar,betas)-

2.4 Create Date
2012-12-01
3 Chemical and Physical Properties
Molecular Weight 241.759 g/mol
Molecular Formula C13H20ClNO
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass241.123 g/mol
Monoisotopic Mass241.123 g/mol
Topological Polar Surface Area23.5 A^2
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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