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

Chemistry

Chemistry

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

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

(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

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 Formula	C₁₃H₂₀ClNO
Molecular Weight	241.76 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	241.1233420 g/mol
Monoisotopic Mass	241.1233420 g/mol
Topological Polar Surface Area	23.5 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	183
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2

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CAS Number

210558-66-0

End Use API

About the Company

Embio is today the world’s second largest Integrated manufacturer of Ephedrine and Pseudoephedrine salt...

Embio is today the world’s second largest Integrated manufacturer of Ephedrine and Pseudoephedrine salts Embio’s facility at Mahad ( 180 Kms from Bombay by road ) has been audited and approved by the Australian TGA, and the US FDA Embio has also been granted the Certificate of Suitability ( CoS ) for its Pseudoephedrine HCl

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