CAS 1012886-75-7

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Also known as: 1012886-75-7, 4-(4-fluorophenyl)-1-methyl-, Paroxetine impurity g hcl, Qqn9btg3zy, Chembl539867, 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2h-pyridine;hydrochloride

Molecular Formula

C₁₂H₁₅ClFN

Molecular Weight

227.70 g/mol

InChI Key

ASGHTQNAMCDXPA-UHFFFAOYSA-N

FDA UNII

QQN9BTG3ZY

1 2D Structure

CAS 1012886-75-7

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine;hydrochloride

2.1.2 InChI

InChI=1S/C12H14FN.ClH/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10;/h2-6H,7-9H2,1H3;1H

2.1.3 InChI Key

ASGHTQNAMCDXPA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCC(=CC1)C2=CC=C(C=C2)F.Cl

2.2 Other Identifiers

2.2.1 UNII

QQN9BTG3ZY

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1012886-75-7

2. 4-(4-fluorophenyl)-1-methyl-

3. Paroxetine Impurity G Hcl

4. Qqn9btg3zy

5. Chembl539867

6. 4-(4-fluorophenyl)-1-methyl-3,6-dihydro-2h-pyridine;hydrochloride

7. Pyridine, 4-(4-fluorophenyl)-1,2,3,6-tetrahydro-1-methyl-, Hydrochloride (1:1)

8. Unii-qqn9btg3zy

9. Paroxetine Ep Impurity-g

10. Dtxsid50647343

11. Bcp25745

12. G82521

13. A904288

14. 4-(4-fluorophenyl)-1-methyl-1,2,3,6-tetrahydropyridinehydrochloride

15. 4-(4-fluorophenyl)-1-methyl-1,2,3,6-tetrahydropyridine--hydrogen Chloride (1/1)

16. 4-(4-fluorophenyl)-1-methyl-1,2,3,6-tetrahydropyridine Hydrochloride (paroxetine Hydrochloride Impurity)

2.4 Create Date

2008-06-02

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₅ClFN
Molecular Weight	227.70 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	3.2
Heavy Atom Count	15
Formal Charge	0
Complexity	216
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2