138182-20-4
Product Name:
(6-Chloro-3-indolyl)-β-D-glucuronide cyclohexylammonium salt
Formula:
C20H27ClN2O7
Synonyms:
RED-GLUC;Rose-glucuronide CHA salt;Salmon-glucuronide CHA salt
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SAFETY INFORMATION
Signal word | Warning |
---|---|
Pictogram(s) |
Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P271:Use only outdoors or in a well-ventilated area. P280:Wear protective gloves/protective clothing/eye protection/face protection. |
COMPUTED DESCRIPTORS
Molecular Weight | 442.9 g/mol |
---|---|
Hydrogen Bond Donor Count | 6 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 3 |
Exact Mass | 442.1506789 g/mol |
Monoisotopic Mass | 442.1506789 g/mol |
Topological Polar Surface Area | 158 Ų |
Heavy Atom Count | 30 |
Formal Charge | 0 |
Complexity | 499 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 5 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 2 |
Compound Is Canonicalized | Yes |