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230615-70-0

230615-70-0 Structure

230615-70-0 Structure
IdentificationBack Directory
[Name]

6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-8-(trifluoroacetyl)-
[CAS]

230615-70-0
[Synonyms]

Varenicline Impurity 16
Varenicline Impurity 19
-2,2,2-trifluoroethanone
Varenicline N-Trifluoroacetyl Impurity
1-(9,10-Dihydro-6H-6,10-methanoazepino[4,5-g]quinoxalin-8(7H)
2,2,2-trifluoro-1-(6,7,9,10-tetrahydro-6,10-methano-8H-pyraz...
6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-8-(trifluoroacety
10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-8-(trifluoroacetyl)-
7,8,9,10-Tetrahydro-8-(trifluoroacetyl)-6,10-methano-6H-pyrazino[2,3-h][3]benzazepine
6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-8-(trifluoroacetyl)-
1-(9,10-Dihydro-6H-6,10-methanoazepino[4,5-g]-quinoxalin-8(7H)-yl)-2,2,2-trifluoroethanone
6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-8-(trifluoroacetyl)- (9CI)
2,2,2-trifluoro-1-(6,7,9,10-tetrahydro-8H-6,10-methanoazepino[4,5-g]quinoxalin-8-yl)ethan-1-one
2,2,2-trifluoro-1-(6,7,9,10-tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepin-8-yl)ethanone
Ethanone, 2,2,2-trifluoro-1-(6,7,9,10-tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepin-8-yl)-
2,2,2 - trifluoro - 1 - (6,7,9,10-tetrahydro- 8H - 6,10 -methanoazepino [4,5-g]quinoxaline- 8 - yl) ethan - 1 - one
[Molecular Formula]

C15H12F3N3O
[MDL Number]

MFCD11042284
[MOL File]

230615-70-0.mol
[Molecular Weight]

307.27
Chemical PropertiesBack Directory
[Melting point ]

164-166 ºC
[Boiling point ]

491.9±45.0 °C(Predicted)
[density ]

1.449
[storage temp. ]

Sealed in dry,2-8°C
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

1.50±0.20(Predicted)
[color ]

White to Off-White
[InChI]

InChI=1S/C15H12F3N3O/c16-15(17,18)14(22)21-6-8-3-9(7-21)11-5-13-12(4-10(8)11)19-1-2-20-13/h1-2,4-5,8-9H,3,6-7H2
[InChIKey]

XDLHBWIAJAKYKF-UHFFFAOYSA-N
[SMILES]

C(=O)(N1CC2CC(C3=CC4=NC=CN=C4C=C32)C1)C(F)(F)F
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[REACH Registrations]

Active
Hazard InformationBack Directory
[Description]

7,8,9,10-Tetrahydro-8-(trifluoroacetyl)-6,10-methano-6H-pyrazino[2,3-h][3]benzazepine (N-(trifluoroacetyl)varenicline)(230615-70-0) is an important pharmaceutical intermediate compound which is used in the preparation of varenicline. Varenicline is an oral smoking cessation aid drug. It works by blocking the pleasant effects of nicotine (from smoking) on the brain.
[Uses]

7,8,9,10-Tetrahydro-8-(trifluoroacetyl)-6,10-methano-6H-pyrazino[2,3-h][3]benzazepine(230615-70-0) is used to prepare varenicline, which is a smoking cessation. It is a Varenicline protected impurity.
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