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Bicyclol

CAT: 0957-S6453-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0957-S6453-02Size:25 mg
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Description
Bicyclol (SY-801) is a drug that can improve liver function and inhibit HBV replication.
CAS Number
118159-48-1
Synonyms
SY-801
Target
HBV
Activity
Microbiology
Molecular Formula
C19H18O9
Storage Conditions
3 years -20°C powder

Chemical Information

Bicyclol

Bicyclol is under investigation in clinical trial NCT02944552 (The Multi Center, Randomized, Double-blind, Positive Controlled Study of Bicyclol in the Treatment of Acute DILI).

CAS Number118159-48-1
PubChem CID9821754
IUPAC Namemethyl 4-[5-(hydroxymethyl)-7-methoxy-1,3-benzodioxol-4-yl]-7-methoxy-1,3-benzodioxole-5-carboxylate
Molecular FormulaC19H18O9
Molecular Weight390.3
XLogP2.1
Topological Polar Surface Area102
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity558
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
Chemical Structure
2D Structure
2D structure of Bicyclol
CAS: 118159-48-1
CID: 9821754
Formula: C19H18O9
MW: 390.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight390.3
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass390.09508215
Monoisotopic Mass390.09508215
Topological Polar Surface Area102 Ų
Heavy Atom Count28
Formal Charge0
Complexity558
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-B0766-01Bicyclol
A18133-5Bicyclol 5mg
A18133-50Bicyclol 50mg
A18133-25Bicyclol 25mg
A18133-100Bicyclol 100mg
A18133-10Bicyclol 10mg
RM-B032501-01Bicyclol Impurity A
RM-B031201-01Methyetherfied Bicyclol
A18133-500Bicyclol 500mg

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