alpha-hydroxyetizolam

Chemical Properties

Boiling point	595.3±60.0 °C(Predicted)
Density	1.51±0.1 g/cm3(Predicted)
storage temp.	-20°C
solubility	DMF: 15 mg/mL; DMSO: 15 mg/mL; Ethanol: 15 mg/mL; PBS (pH 7.2): 0.5 mg/mL
form	A solid
pka	13.52±0.20(Predicted)
Major Application	clinical testing
InChI	1S/C17H15ClN4OS/c1-9(23)14-7-11-8-19-15(12-5-3-4-6-13(12)18)16-21-20-10(2)22(16)17(11)24-14/h3-9,15,23H,1-2H3
InChIKey	BTGCWXDWJAGZML-UHFFFAOYSA-N
SMILES	[s]1c2c(cc1C(O)C)C=NC(c4[n]2c(nn4)C)c3c(cccc3)Cl

WGK Germany	WGK 2
Storage Class	3 - Flammable liquids
Hazard Classifications	Acute Tox. 3 Dermal Acute Tox. 3 Inhalation Acute Tox. 3 Oral Flam. Liq. 2 STOT SE 1

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