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Home Other Building Blocks Helioxanthin 8-1

Helioxanthin 8-1

CAS No.:
840529-13-7
Catalog Number:
AG00G3OJ
Molecular Formula:
C20H12N2O6
Molecular Weight:
376.3191
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
98%
1 week
United States
$640
- +
10mg
98%
1 week
United States
$890
- +
Product Description
Catalog Number:
AG00G3OJ
Chemical Name:
Helioxanthin 8-1
CAS Number:
840529-13-7
Molecular Formula:
C20H12N2O6
Molecular Weight:
376.3191
MDL Number:
MFCD28167792
IUPAC Name:
11-(1,3-benzodioxol-5-yl)-8,9-dihydro-[1,3]benzodioxolo[7,6-g]phthalazine-7,10-dione
InChI:
InChI=1S/C20H12N2O6/c23-19-11-5-9-2-4-13-18(28-8-26-13)16(9)15(17(11)20(24)22-21-19)10-1-3-12-14(6-10)27-7-25-12/h1-6H,7-8H2,(H,21,23)(H,22,24)
InChI Key:
PXSPEYYAEFFUMN-UHFFFAOYSA-N
SMILES:
O=c1[nH][nH]c(=O)c2c1cc1ccc3c(c1c2c1ccc2c(c1)OCO2)OCO3
Properties
Complexity:
673  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.07g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
376.324g/mol
Monoisotopic Mass:
376.07g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
95.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
Helioxanthin analogue 8-1 inhibits duck hepatitis B virus replication in cell culture. Antiviral chemistry & chemotherapy 20100101
Synthesis and antiviral activity of helioxanthin analogues. Journal of medicinal chemistry 20050127
Properties