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CAS 1246819-02-2

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Also known as: 1246819-02-2, 2-ethoxy-3-[[4-[2-(2-ethyltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid, 2h-2-ethyl candesartan-[d5], Schembl10123866, Dtxsid70737917, Zinc65740918

Molecular Formula

C₂₆H₂₄N₆O₃

Molecular Weight

468.5 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-3-[[4-[2-(2-ethyltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic Acid

3. 2h-2-ethyl Candesartan-[d5]

4. Schembl10123866

5. Dtxsid70737917

6. Zinc65740918

7. Ft-0668189

8. Ft-0668190

9. J-005139

10. 2-ethoxy-1-[[2'-(2-ethyl-2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl]-1h-benzimidazole-7-carboxylic Acid;

11. 2-ethoxy-1-{[2'-(2-ethyl-2h-tetrazol-5-yl)[1,1'-biphenyl]-4-yl]methyl}-1h-benzimidazole-7-carboxylic Acid

2.3 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₂₄N₆O₃
Molecular Weight	468.5 g/mol
XLogP3	5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	468.19098865 g/mol
Monoisotopic Mass	468.19098865 g/mol
Topological Polar Surface Area	108 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	705
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

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