SAFETY INFORMATION
| Signal word | Warning |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 176.17 g/mol |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 3 |
| Exact Mass | 176.058577502 g/mol |
| Monoisotopic Mass | 176.058577502 g/mol |
| Topological Polar Surface Area | 73.1 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 223 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
Description
N-(4-Cyanophenyl)glycine is a Glycine (HY-Y0966) derivative. N-(4-Cyanophenyl)glycine is used in the production of dabigatranate (Pradaxa). This drug binds to thrombin and inhibits its activity by forming covalent bonds with serine residues in the active site of the enzyme. Decreased levels of thrombin will result in increased fibrinolysis. It is also used as a bronchoscopy agent.
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