261947-38-0

Name (2R,4S)-4-[Acetyl[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-1(2H)-quinolinecarboxylic acid 1-methylethyl ester
CAS 261947-38-0
Molecular Formula C27H27F9N2O3
MDL Number MFCD28168039
Molecular Weight 598.5
MOL File 261947-38-0.mol

Chemical Properties

Melting point  101.8 °C
Boiling point  523.8±50.0 °C(Predicted)
density  1.38±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  DMSO: soluble20mg/mL, clear
form  powder
pka -0.93±0.40(Predicted)
color  white to beige
InChIKey TUPKOWFPVAXQFP-OFNKIYASSA-N
SMILES O=C(OC(C)C)N1C2=CC=C(C(F)(F)F)C=C2[C@@H](N(CC3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)C(C)=O)C[C@H]1CC

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302
Precautionary statements  P264-P270-P301+P312-P330-P501
WGK Germany  3
Storage Class 11 - Combustible Solids
Hazard Classifications Acute Tox. 4 Oral

Hazard Information

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