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Walrycin B

CAS No.:
878419-78-4
Catalog Number:
AG00GU7D
Molecular Formula:
C14H10F3N5O2
Molecular Weight:
337.2567
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$97
- +
5mg
96%
1 week
United States
$196
- +
10mg
96%
1 week
United States
$265
- +
50mg
96%
1 week
United States
$682
- +
100mg
96%
1 week
United States
$960
- +
Product Description
Catalog Number:
AG00GU7D
Chemical Name:
Walrycin B
CAS Number:
878419-78-4
Molecular Formula:
C14H10F3N5O2
Molecular Weight:
337.2567
MDL Number:
MFCD07188899
IUPAC Name:
1,6-dimethyl-3-[4-(trifluoromethyl)phenyl]pyrimido[5,4-e][1,2,4]triazine-5,7-dione
InChI:
InChI=1S/C14H10F3N5O2/c1-21-12(23)9-11(19-13(21)24)22(2)20-10(18-9)7-3-5-8(6-4-7)14(15,16)17/h3-6H,1-2H3
InChI Key:
XRVMPTWWKLKLPB-UHFFFAOYSA-N
SMILES:
Cn1nc(nc2c1nc(=O)n(c2=O)C)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
674  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.079g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.262g/mol
Monoisotopic Mass:
337.079g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Pyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione derivatives: their cytoprotection effect from rotenone toxicity and preliminary DMPK properties. Bioorganic & medicinal chemistry letters 20091101
Properties