(r)-2-(2-amino-2-oxo-1-phenylethyl)-6,7-dimethoxy-1-(4-(trifluoromethyl)phenethyl)isoquinolinium
- Other Name: (2R)-2-[6,7-dimethoxy-1-[2-[4-(trifluoromethyl)phenyl]ethyl]isoquinolin-2-ium-2-yl]-2-phenylacetamide
- InChIKey: IEASKVFFBWTHJX-AREMUKBSSA-O
- InChI: InChI=1S/C28H25F3N2O3/c1-35-24-16-20-14-15-33(26(27(32)34)19-6-4-3-5-7-19)23(22(20)17-25(24)36-2)13-10-18-8-11-21(12-9-18)28(29,30)31/h3-9,11-12,14-17,26H,10,13H2,1-2H3,(H-,32,34)/p+1/t26-/m1/s1
- SMILES: COC1=C(C=C2C(=C1)C=C[N+](=C2CCC3=CC=C(C=C3)C(F)(F)F)[C@H](C4=CC=CC=C4)C(=O)N)OC
- Exact Mass: 495.18955
- Molecular Formula: C28H26F3N2O3+
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Compound CID:
118753401
118753401
Hidden Reactions Filter
Some biological reactions link very small precursors (e.g. CO₂, acetate) to much larger products.
These reactions are correct, but they can create unrealistic shortest paths and connect otherwise separate parts of the graph.
To keep the overview readable, FAIR-TPs hides six such reactions where a <60 Da precursor leads to a >300 Da product in the visualisations.
You can have all these paths in the download output.
You can have all these paths in the download output.
Hidden reaction pairs (precursor → product):
- Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamidoacetamide
- Acetate → N-(2-benzoyl-4-chlorophenyl)-2-acetamido-n-methylacetamide
- Carbon dioxide → Formylmethanofuran
- Acrolein → Chembl3706542
- Ethylene oxide → Acetyl-coa
- Formaldehyde → S-hydroxymethylglutathione
Note: In the graph output, up to 100 compounds are displayed for faster visualization. For the full output, please use the export files.
Click on a node or edge to see details here.