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Candesartan N2-Ethyl Impurity

CAT: 1596-AR-C04057-01Size: 10 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-C04057-01Size:10 Units
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CAS Number
1246819-02-2
Synonyms
2-Ethoxy-1-[[2'- (2-ethyl-2H-tetrazol-5-yl) [1,1'-biphenyl]-4-yl]methyl]-1H-benzimidazole-7-carboxylic Acid;2H-2-Ethyl Candesartan.
Molecular Formula
C26H24N6O3
Molecular Weight
468.51
API Name
Candesartan

Chemical Information

2H-2-Ethyl Candesartan
CAS Number1246819-02-2
PubChem CID68040906
IUPAC Name2-ethoxy-3-[[4-[2-(2-ethyltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
Molecular FormulaC26H24N6O3
Molecular Weight468.5
XLogP5
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count35
Formal Charge0
Complexity705
SMILES
CCN1N=C(N=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN4C5=C(C=CC=C5N=C4OCC)C(=O)O
InChI
InChI=1S/C26H24N6O3/c1-3-32-29-24(28-30-32)20-9-6-5-8-19(20)18-14-12-17(13-15-18)16-31-23-21(25(33)34)10-7-11-22(23)27-26(31)35-4-2/h5-15H,3-4,16H2,1-2H3,(H,33,34)
InChIKey
OFOKUACFEHSBTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2H-2-Ethyl Candesartan
CAS: 1246819-02-2
CID: 68040906
Formula: C26H24N6O3
MW: 468.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight468.5
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass468.19098865
Monoisotopic Mass468.19098865
Topological Polar Surface Area108 Ų
Heavy Atom Count35
Formal Charge0
Complexity705
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