Bicyclol

Category	Hepatitis B Virus (HBV)
CAS	118159-48-1
Description	Bicyclol is a anti-hepatitis drug, used in China for chronic hepatitis B and presumably C.

Quotation Now

Synonyms	Bicyclol; SY 801; SY-801; SY801.
IUPAC Name	methyl 4-[5-(hydroxymethyl)-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylate
Molecular Weight	390.34
Molecular Formula	C19H18O9
Canonical SMILES	COC1=C2C(=C(C(=C1)CO)C3=C4C(=C(C=C3C(=O)OC)OC)OCO4)OCO2
InChI	InChI=1S/C19H18O9/c1-22-11-4-9(6-20)13(17-15(11)25-7-27-17)14-10(19(21)24-3)5-12(23-2)16-18(14)28-8-26-16/h4-5,20H,6-8H2,1-3H3
InChIKey	KXMTXZACPVCDMH-UHFFFAOYSA-N
Purity	>98%
Solubility	In Vitro: DMSO : 100 mg/mL(256.19 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 2.5 mg/mL (6.40 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90% (20%SBE-β-CDin saline) Solubility: 2.5 mg/mL (6.40 mM); Suspended solution; Need ultrasonic 3.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 2.5 mg/mL (6.40 mM); Clear solution
Appearance	White to off-white (Solid)
Storage	Powder: -20°C 3 years 4°C 2 years In solvent: -80°C 6 months -20°C 1 months
Complexity	558
Exact Mass	390.09508215
PSA	101.91000
Target	HBV; Autophagy
XLogP3-AA	2.1