Deschloroetizolam NEW

English name: Deschloroetizolam

CAS number: 40054-73-7

Molecular formula: C17H16N4S

Molecular weight: 308.4

EINECS number: 200-284-8

MDL No. : MFCD02942552

Stats

Melting point 165-166 °C

Boiling point 519.0±60.0 °C(Predicted)

Density 1.34± 0.1g /cm3(Predicted)

Storage condition -20°C

Solubility DMF: 5 mg/ml DMSO: 5 mg/ml DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml Methanol: 1 mg/ml

Acidity coefficient (pKa)2.45±0.40(Predicted)

The shape is A crystalline solid

Maximum wavelength (λmax)247 nm

InChIInChI = 1 s/C17H16N4S/c1-3-13-9-14-16 (12-7-5-12-7-5-12), 11 (2) the 18-10-15-20-19-21 17 (14) (15) 22-13 / h4-9 h, 3, 10 H2, h3 1-2

InChIKeyJIOBORXCOGMHSV-UHFFFAOYSA-N

SMILESN12C(C)=NN=C1CN=C(C1=CC=CC=C1)C1C=C(CC)SC=12

Safety information

Dangerous goods transport number UN1230-class 3-PG 2-Methanol, solution