Varenicline

enlarge

Systematic / IUPAC Name: 5,8,14-Triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene

ID: Reference3550

Other Names: 6,10-Methano-6H-pyrazino[2,3-H][3]benzazepine, 7,8,9,10-tetrahydro- ;
7,8,9,10-Tetrahydro-6,10-methano-6H-pyrazino[2,3-H][3]benzazepine;
7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline;
CP-526555;
5,8,14-Triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene

Formula: C13H13N3

Class: Therapeutics/Prescription Drugs

Spectral Data

Varenicline mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Plus Orbitrap
No. of Spectral Trees 1
No. of Spectra 67
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/12/2016 12:24:01 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2
InChI Key JQSHBVHOMNKWFT-UHFFFAOYSA-N
Canonical SMILES C1C2CNCC1C3=CC4=NC=CN=C4C=C23
CAS 249296444
Splash
Other Names 6,10-Methano-6H-pyrazino[2,3-H][3]benzazepine, 7,8,9,10-tetrahydro- ;
7,8,9,10-Tetrahydro-6,10-methano-6H-pyrazino[2,3-H][3]benzazepine;
7,8,9,10-Tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline;
CP-526555;
5,8,14-Triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2(11),3,5,7,9-pentaene

In Other Databases

ChemIDPlus 249296444; 375815875
Wikipedia Varenicline
PubChem 170361
ChEMBL CHEMBL1396
ChemSpider 148958
KEGG D08669