Toloxatone Structure

Toloxatone

Chemical Properties

Melting point 76°
Boiling point 358.9±21.0 °C(Predicted)
Density  1.245±0.06 g/cm3(Predicted)
storage temp.  Inert atmosphere,2-8°C
solubility  DMSO: >10mg/mL
pka 14.05±0.10(Predicted)
form  solid
color  White to off-white
InChI 1S/C11H13NO3/c1-8-3-2-4-9(5-8)12-6-10(7-13)15-11(12)14/h2-5,10,13H,6-7H2,1H3
InChIKey MXUNKHLAEDCYJL-UHFFFAOYSA-N
SMILES Cc1cccc(c1)N2CC(CO)OC2=O
FDA UNII 5T206015T5
ATC code N06AG03
UNSPSC Code 12161501
NACRES NA.77

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H302
Precautionary statements P280-P305+P351+P338
Hazard Codes  Xn
Risk Statements  22
RIDADR  3249
WGK Germany  3
RTECS  RQ2867500
HazardClass  6.1(b)
PackingGroup  III
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral
Toxicity LD50 orally in mice (mg/kg): 1850 (Fauran); also reported as 1500 (Raynaud)
NFPA 704:
0
1 0

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