285979-80-8
Product Name:
ESTRONE-2,4,16,16-D4 3-SULFATE
Formula:
C18H23NaO5S
Synonyms:
Estra-1,3,5(10)-trien-17-one-2,4,16,16-d4, 3-(sulfooxy)-, sodium salt)
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SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Exclamation Mark Irritant GHS07  Health Hazard GHS08 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H350:Carcinogenicity H360:Reproductive toxicity |
| Precautionary Statement Codes |
P201:Obtain special instructions before use. 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. P308+P313:IF exposed or concerned: Get medical advice/attention. |
COMPUTED DESCRIPTORS
| Molecular Weight | 354.5 g/mol |
|---|---|
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 2 |
| Exact Mass | 354.14390196 g/mol |
| Monoisotopic Mass | 354.14390196 g/mol |
| Topological Polar Surface Area | 89 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 624 |
| Isotope Atom Count | 4 |
| Defined Atom Stereocenter Count | 4 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |