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CAS 1246819-02-2
PharmaCompass
  • Chemistry
CAS 1246819-02-2
Also known as: 1246819-02-2, 2-ethoxy-1-[[2'-(2-ethyl-2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1h-benzimidazole-7-carboxylic acid, 2-ethoxy-1-{[2'-(2-ethyl-2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1h-benzimidazole-7-carboxylic acid, Candesartan n2-ethyl impurity, Schembl10123866, Dtxsid70737917
Molecular Formula
C26H24N6O3
Molecular Weight
468.517  g/mol
InChI Key
OFOKUACFEHSBTR-UHFFFAOYSA-N

1 2D Structure

CAS 1246819-02-2

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-ethoxy-3-[[4-[2-(2-ethyltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
2.1.2 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)
2.1.3 InChI Key
OFOKUACFEHSBTR-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CCN1N=C(N=N1)C2=CC=CC=C2C3=CC=C(C=C3)CN4C5=C(C=CC=C5N=C4OCC)C(=O)O
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1246819-02-2

2. 2-ethoxy-1-[[2'-(2-ethyl-2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1h-benzimidazole-7-carboxylic Acid

3. 2-ethoxy-1-{[2'-(2-ethyl-2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1h-benzimidazole-7-carboxylic Acid

4. Candesartan N2-ethyl Impurity

5. Schembl10123866

6. Dtxsid70737917

7. Zinc65740918

8. He188944

9. He188945

10. Ft-0668189

11. J-005139

2.3 Create Date
2012-11-30
3 Chemical and Physical Properties
Molecular Weight 468.517 g/mol
Molecular Formula C26H24N6O3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass468.191 g/mol
Monoisotopic Mass468.191 g/mol
Topological Polar Surface Area108 A^2
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
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