129541-41-9
Product Name:
5-Bromo-4-chloro-3-indolyl-beta-D-glucuronide sodium salt
Formula:
C14H14BrClNNaO7
Synonyms:
5-Bromo-4-chloro-3-indolyl β-D -glucuronide cyclohexylammonium salt;X-GlcA;X-glucuronide CHA salt
Inquiry
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. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 444.59 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 3 |
| Exact Mass | 442.93834 g/mol |
| Monoisotopic Mass | 442.93834 g/mol |
| Topological Polar Surface Area | 135 Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 492 |
| 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 |