Cas no 796865-82-2 (N-Formyl Varenicline)

N-Formyl Varenicline structure
N-Formyl Varenicline structure
Product Name:N-Formyl Varenicline
CAS No:796865-82-2
MF:C14H13N3O
MW:239.272522687912
CID:556590
PubChem ID:10308042
Update Time:2024-10-27

N-Formyl Varenicline Chemical and Physical Properties

Names and Identifiers

    • 6,10-Methano-8H-pyrazino[2,3-h][3]benzazepine-8-carboxaldehyde,6,7,9,10-tetrahydro-
    • N-Formyl Varenicline
    • 6,7,9,10-Tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepine-8-carboxaldehyde
    • 6,7,9,10-Tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepine-8-carboxaldehyde (ACI)
    • N-Formylvarenicline
    • AKOS030254495
    • FT-0668860
    • 6,7,9,10-Tetrahydro-8H-6,10-methanoazepino[4,5-g]quinoxaline-8-carbaldehyde
    • 5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene-14-carbaldehyde
    • 796865-82-2
    • DTXSID30437901
    • 5,8,14-triazatetracyclo[10.3.1.0?,??.0?,?]hexadeca-2,4,6,8,10-pentaene-14-carbaldehyde
    • SCHEMBL8203012
    • 6,10-Methano-8H-pyrazino[2,3-h][3]benzazepine-8-carboxaldehyde, 6,7,9,10-tetrahydro-; 6,7,9,10-Tetrahydro-6,10-methano-8H-pyrazino[2,3-h][3]benzazepine-8-carboxaldehyde; N-Formylvarenicline
    • Inchi： 1S/C14H13N3O/c18-8-17-6-9-3-10(7-17)12-5-14-13(4-11(9)12)15-1-2-16-14/h1-2,4-5,8-10H,3,6-7H2
    • InChI Key： WFXWKRXICPYTSW-UHFFFAOYSA-N
    • SMILES： O=CN1CC2CC(C3C2=CC2C(=NC=CN=2)C=3)C1

Computed Properties

  • Exact Mass: 239.10600
  • Monoisotopic Mass: 239.105862047g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 0
  • Complexity: 320
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 46.1?2

Experimental Properties

  • Density: 1.399
  • Melting Point: 203-205°C
  • Boiling Point: 482.3°C at 760 mmHg
  • Flash Point: 245.5°C
  • Refractive Index: 1.753
  • Solubility: Chloroform (Slightly), Dichloromethane (Slightly), Methanol (Slightly)
  • PSA: 46.09000
  • LogP: 2.24650
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

N-Formyl Varenicline Security Information

N-Formyl Varenicline Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
F701650-1mg
N-Formyl Varenicline
 796865-82-2
1mg
 $91.00 2023-05-18
TRC
F701650-2mg
N-Formyl Varenicline
 796865-82-2
2mg
 $148.00 2023-05-18
TRC
F701650-5mg
N-Formyl Varenicline
 796865-82-2
5mg
 $289.00 2023-05-18
TRC
F701650-10mg
N-Formyl Varenicline
 796865-82-2
10mg
 $ 529.00 2023-09-07
TRC
F701650-25mg
N-Formyl Varenicline
 796865-82-2
25mg
 $ 1047.00 2023-09-07
Biosynth
MF16728-1 mg
N-Formyl varenicline
 796865-82-2
1mg
 $346.27 2023-01-03
Biosynth
MF16728-2 mg
N-Formyl varenicline
 796865-82-2
2mg
 $629.60 2023-01-03
Biosynth
MF16728-5 mg
N-Formyl varenicline
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5mg
 $1,144.60 2023-01-03
Biosynth
MF16728-10 mg
N-Formyl varenicline
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10mg
 $2,081.10 2023-01-03
Biosynth
MF16728-25 mg
N-Formyl varenicline
 796865-82-2
25mg
 $3,784.00 2023-01-03

N-Formyl Varenicline Production Method

Production Method 1

Reaction Conditions
1.1 -
2.1 Reagents: Sodium carbonate Solvents: Methanol ,  Water
3.1 2 h, 60 °C
Reference
Impurity profiling of varenicline tartrate by LC-QTOF mass spectrometric techniques during drug development
Lu, Yuting; et al, Journal of Pharmaceutical and Biomedical Analysis, 2018, 155, 306-313

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Palladium dihydroxide Solvents: Methanol
2.1 -
3.1 Reagents: Sodium carbonate Solvents: Methanol ,  Water
4.1 2 h, 60 °C
Reference
Impurity profiling of varenicline tartrate by LC-QTOF mass spectrometric techniques during drug development
Lu, Yuting; et al, Journal of Pharmaceutical and Biomedical Analysis, 2018, 155, 306-313

Production Method 3

Reaction Conditions
1.1 2 h, 60 °C
Reference
Impurity profiling of varenicline tartrate by LC-QTOF mass spectrometric techniques during drug development
Lu, Yuting; et al, Journal of Pharmaceutical and Biomedical Analysis, 2018, 155, 306-313

Production Method 4

Reaction Conditions
1.1 rt; overnight, rt → reflux; reflux → rt
Reference
N-methylation and N-formylation of a secondary amine drug (varenicline) in an osmotic tablet
Waterman, Kenneth C.; et al, Journal of Pharmaceutical Sciences, 2008, 97(4), 1499-1507

Production Method 5

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Methanol ,  Water ;  2 h, 60 °C
2.1 2 h, 60 °C
Reference
Impurity profiling of varenicline tartrate by LC-QTOF mass spectrometric techniques during drug development
Lu, Yuting; et al, Journal of Pharmaceutical and Biomedical Analysis, 2018, 155, 306-313

Production Method 6

Reaction Conditions
1.1 Reagents: Trifluoromethanesulfonic acid ,  Nitric acid Solvents: Dichloromethane ;  28 h, 0 - 20 °C
2.1 Reagents: Hydrogen Catalysts: Palladium dihydroxide Solvents: Methanol
3.1 -
4.1 Reagents: Sodium carbonate Solvents: Methanol ,  Water
5.1 2 h, 60 °C
Reference
Impurity profiling of varenicline tartrate by LC-QTOF mass spectrometric techniques during drug development
Lu, Yuting; et al, Journal of Pharmaceutical and Biomedical Analysis, 2018, 155, 306-313

Production Method 7

Reaction Conditions
1.1 Reagents: Pyridine Solvents: Dichloromethane
2.1 Reagents: Trifluoromethanesulfonic acid ,  Nitric acid Solvents: Dichloromethane ;  28 h, 0 - 20 °C
3.1 Reagents: Hydrogen Catalysts: Palladium dihydroxide Solvents: Methanol
4.1 -
5.1 Reagents: Sodium carbonate Solvents: Methanol ,  Water
6.1 2 h, 60 °C
Reference
Impurity profiling of varenicline tartrate by LC-QTOF mass spectrometric techniques during drug development
Lu, Yuting; et al, Journal of Pharmaceutical and Biomedical Analysis, 2018, 155, 306-313

N-Formyl Varenicline Raw materials

N-Formyl Varenicline Preparation Products

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