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varenicline

Properties

Image

Occurences in reactions

MNX_ID

MNXM145260

	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

formula

C₁₃H₁₃N₃

charge

mass

211.11095

reference

InChIKey

JQSHBVHOMNKWFT-DTORHVGOSA-N

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/t8-,9+

SMILES

c1cnc2cc3c(cc2n1)[C@H]1CNC[C@@H]3C1

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:84500 chebi:84500	varenicline 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 vareniclina vareniclinum
kegg.drug:D08669 keggD:D08669	Varenicline (INN)
hmdb:HMDB0015398	Varenicline (1R,12S)-5,8,14-triazatetracyclo[10.3.1.0²,¹¹.0⁴,⁹]hexadeca-2,4,6,8,10-pentaene 6,7,8,9-Tetrahydro-6,10-methano-6H-pyrazino(2,3-H)benzazepine 7,8,9,10-Tetrahydro-6,10-methano-6H-pyrazino(2,3-H)(3)benzazepine CP-526,555 Champix Chantix Tartrate, varenicline Vareniclina Varenicline tartrate Vareniclinum chantix
CHEBI:84508 chebi:84508	varenicline(1+) 7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxalin-8-ium varenicline cation
hmdb:HMDB15398 keggD:M_D08669	secondary/obsolete/fantasy identifier