Description:
1,5-methano-1H-3-benzazepine is one of Varenicline impurities. Varenicline is a nicotinic receptor partial agonist. It is a prescription drug used to treat cigarette addiction.
- Molecular Weight: 345.23
- Molecular Formula: C13H10F3N3O5
Purity: ≥ 95%
Canonical SMILES:
C1C2CN(CC1C3=CC(=C(C=C23)[N+](=O)[O-])[N+](=O)[O-])C(=O)C(F)(F)F
InChI:
InChI=1S/C13H10F3N3O5/c14-13(15,16)12(20)17-4-6-1-7(5-17)9-3-11(19(23)24)10(18(21)22)2-8(6)9/h2-3,6-7H,1,4-5H2
InChIKey: BDTXJBWOCIFUMR-UHFFFAOYSA-N
- Boiling Point: 520.4±50.0 °C (Predicted)
- Melting Point: 175-177 °C
- Solubility: Soluble in Methanol, DMSO, DMF, THF
- Appearance: White to Light Yellow Solid
- Storage: 2-8 °C
Synonyms:
1-(7,8-dinitro-1,2,4,5-tetrahydro-3H-1,5-methanobenzo[d]azepin-3-yl)-2,2,2-trifluoroethan-1-one; 2,3,4,5-Tetrahydro-7,8-dinitro-3-(trifluoroacetyl)-1,5-methano-1H-3-benzazepine; 1-(4,5-dinitro-10-aza-tricyclo[6.3.1.0(2,7)]dodeca-2(7),3,5-triene-10-yl)-2,2,2-trifluoro-ethanone; 2,2,2-Trifluoro-1-(1,2,4,5-tetrahydro-7,8-dinitro-1,5-methano-3H-3-benzazepin-3-yl)ethanone
More details are to be found on supplier website
