C5265
4-Formylbenzonitrile
≥95% (GC)
Synonym(s):
4-Cyanobenzaldehyde
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About This Item
Linear Formula:
NCC6H4CHO
CAS Number:
Molecular Weight:
131.13
EC Number:
203-267-3
UNSPSC Code:
12352100
MDL number:
Beilstein/REAXYS Number:
606473
assay
≥95% (GC)
bp
133 °C/12 mmHg (lit.)
mp
100-102 °C (lit.)
storage temp.
2-8°C
SMILES string
O=Cc1ccc(cc1)C#N
InChI
1S/C8H5NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H
InChI key
WZWIQYMTQZCSKI-UHFFFAOYSA-N
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Minna K Rahnasto et al.
Bioorganic & medicinal chemistry, 19(23), 7186-7193 (2011-10-25)
The human CYP2A6 enzyme metabolises several xenobiotics including nicotine, the addictive component in tobacco. Reduced activity of CYP2A6, either for genetic reasons or by administering inhibitors of CYP2A6, reduces tobacco smoking. The aim was to design novel inhibitors of CYP2A6
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