Mrv0541 01261516402D          

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M  END
> <ID>
CHEBI:84507

> <NAME>
varenicline tartrate

> <DEFINITION>
A tartrate salt obtained by reaction of varenicline with one equivalent of (R,R)-tartaric acid. A partial agonist for nicotinic cholinergic receptors, it is used as an aid to giving up smoking.

> <STAR>
3

> <SYNONYM>
varenicline monotartrate; CP-526,555-18; CP 526555-18; 7,8,9,10-Tetrahydro-6,10-methano-6H-pyrazino(2,3-h)(3)benzazepine (2R,3R)-2,3-dihydroxybutanedioate

> <IUPAC_NAME>
7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinic acid; 7,8,9,10-tetrahydro-6H-6,10-methanoazepino[4,5-g]quinoxalin-8-ium (2R,3R)-3-carboxy-2,3-dihydroxypropanoate

> <BRAND_NAME>
Chantix; Champix

> <FORMULA>
C17H19N3O6

> <MASS>
361.34930

> <MONOISOTOPIC_MASS>
361.12739

> <CHARGE>
0

> <SMILES>
O[C@H]([C@@H](O)C(O)=O)C(O)=O.C1C2CNCC1c1cc3nccnc3cc21

> <INCHI>
InChI=1S/C13H13N3.C4H6O6/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1;5-1(3(7)8)2(6)4(9)10/h1-2,4-5,8-9,14H,3,6-7H2;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1

> <INCHIKEY>
TWYFGYXQSYOKLK-LREBCSMRSA-N

> <CAS_REGISTRY_NUMBER>
375815-87-5

> <REAXYS_REGISTRY_NUMBER>
14347664

> <CHEMIDPLUS>
375815-87-5

> <DRUGBANK_ACCESSION>
DB01273

> <KEGG_DRUG_ACCESSION>
D06282

> <PUBMED_CITATION>
22993168; 25013685; 25031315; 25545858

$$$$