Basic information
- Standard SMILES
O=C(O)C(O)C(O)C(=O)O.c1cnc2cc3c(cc2n1)C1CNCC3C1- InChIKey
TWYFGYXQSYOKLK-UHFFFAOYSA-N- Molecular formula
- C17H19N3O6
- Average molar mass
- 361.3 g/mol
Overview
See also: Varenicline (annotation moved to); Varenicline Tartrate (annotation moved to).
Names & identifiers
- Preferred name
- Champix
- IUPAC
- 2,3-dihydroxybutanedioic acid;5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene
Names & synonyms
ChampixVarenicline(Tartrate)MFCD08460603s1440SCHEMBL224851SCHEMBL2248527,8,9,10-Tetrahydro-6,10-methano-6H-pyrazino[2,3-h][3]benzazepine tartrateTWYFGYXQSYOKLK-UHFFFAOYSA-N7,8,9,10-Tetrahydro-6,10-methano-6H-pyrazino[2,3-h][3]benzazepine (2R,3R)-2,3-dihydroxybutanedioateAKOS030228787SB17431PD051619
Show more names
Varenicline Tartrate (CP 526555-18)SBI-0635778.0001SR-00000010464SR-00000010464-22,3-dihydroxybutanedioic acid;5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene7,8,9,10-Tetrahydro-6H-6,10-methanoazepino-[4,5-g]quinoxaline (2R,3R)-2,3-dihydroxysuccinate
Database identifiers
- PubChem CID
- 46783232
Properties
Computed structural properties
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 388
Related reactions
1 records
Compound notes
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