SB 204990

Chemical Properties

Melting point	87-89 °C
Boiling point	571.6±40.0 °C(Predicted)
Density	1.332±0.06 g/cm3(Predicted)
solubility	DMF: 30 mg/ml; DMF:PBS(pH7.2) (1:2): 0.33 mg/ml; DMSO: 20 mg/ml; Ethanol: 1 mg/ml
form	A crystalline solid
pka	4.33±0.10(Predicted)
color	White to off-white
InChI	InChI=1/C18H22Cl2O5/c19-13-8-7-12(15(20)9-13)5-3-1-2-4-6-14-10-18(24,11-16(21)22)17(23)25-14/h7-9,14,24H,1-6,10-11H2,(H,21,22)/t14-,18+/s3
InChIKey	YTRNLFYTHYWDAU-RVFWCEGZNA-N
SMILES	O1[C@@H](CCCCCCC2=CC=C(Cl)C=C2Cl)C[C@@](O)(CC(O)=O)C1=O \|&1:1,17,r\|