ChemicalBook CAS DataBase List Flubrotizolam

Flubrotizolam

Chemical Properties

Boiling point	535.7±60.0 °C(Predicted)
Density	1.76±0.1 g/cm3(Predicted)
solubility	DMF:5.0(Max Conc. mg/mL);13.0(Max Conc. mM) DMSO:5.0(Max Conc. mg/mL);13.0(Max Conc. mM) DMSO:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);1.3(Max Conc. mM)
pka	1.98±0.40(Predicted)
form	A crystalline solid
InChI	InChI=1S/C15H10BrFN4S/c1-8-19-20-13-7-18-14(9-4-2-3-5-11(9)17)10-6-12(16)22-15(10)21(8)13/h2-6H,7H2,1H3
InChIKey	VOZDBDBHBXLWCG-UHFFFAOYSA-N
SMILES	N12C(C)=NN=C1CN=C(C1=CC=CC=C1F)C1C=C(Br)SC=12
FDA UNII	ZWK85P59MH