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Home Other Building Blocks Aldose reductase-IN-1

Aldose reductase-IN-1

CAS No.:
1355612-71-3
Catalog Number:
AG009CGP
Molecular Formula:
C17H10F3N5O3S
Molecular Weight:
421.3532
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
99%
1 week
United States
$290
- +
10mg
99%
1 week
United States
$390
- +
50mg
99%
1 week
United States
$1390
- +
100mg
99%
1 week
United States
$2223
- +
Product Description
Catalog Number:
AG009CGP
Chemical Name:
Aldose reductase-IN-1
CAS Number:
1355612-71-3
Molecular Formula:
C17H10F3N5O3S
Molecular Weight:
421.3532
MDL Number:
MFCD29472264
IUPAC Name:
2-[5-oxo-6-[[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]methyl]pyrazino[2,3-d]pyridazin-8-yl]acetic acid
InChI:
InChI=1S/C17H10F3N5O3S/c18-17(19,20)8-1-2-11-9(5-8)23-12(29-11)7-25-16(28)15-14(21-3-4-22-15)10(24-25)6-13(26)27/h1-5H,6-7H2,(H,26,27)
InChI Key:
YRGPAXAVTDMKDK-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1nn(Cc2nc3c(s2)ccc(c3)C(F)(F)F)c(=O)c2c1nccn2
UNII:
E8I3O45DDU
Properties
Complexity:
706  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
421.046g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
11  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
421.354g/mol
Monoisotopic Mass:
421.046g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties