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145781-32-4 | 1H-Imidazole-5-carboxylic acid, 1-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-5-benzofuranyl]methyl]-2-butyl-4-chloro-
CAS No: 145781-32-4 Catalog No: AG001DEI MDL No:
Product Description
Catalog Number:
AG001DEI
Chemical Name:
1H-Imidazole-5-carboxylic acid, 1-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-5-benzofuranyl]methyl]-2-butyl-4-chloro-
CAS Number:
145781-32-4
Molecular Formula:
C24H20BrClN6O3
Molecular Weight:
555.8110
IUPAC Name:
3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid
InChI:
InChI=1S/C24H20BrClN6O3/c1-2-3-8-18-27-22(26)20(24(33)34)32(18)12-13-9-10-17-16(11-13)19(25)21(35-17)14-6-4-5-7-15(14)23-28-30-31-29-23/h4-7,9-11H,2-3,8,12H2,1H3,(H,33,34)(H,28,29,30,31)
InChI Key:
FIKYECRHLXONOX-UHFFFAOYSA-N
SMILES:
CCCCc1nc(c(n1Cc1ccc2c(c1)c(Br)c(o2)c1ccccc1c1n[nH]nn1)C(=O)O)Cl
UNII:
6NA6UHB9SW
Properties
Complexity:
739
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
554.047g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
555.817g/mol
Monoisotopic Mass:
554.047g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
Literature
| Title | Journal |
|---|---|
| Angiotensin II receptor type 1 (AT1) selective nonpeptidic antagonists--a perspective. | Bioorganic & medicinal chemistry 20101215 |
| Autoradiographic determination of angiotensin II receptors in prepubertal and postpubertal pig ovarian tissue. | Reproduction (Cambridge, England) 20011101 |
| Nonpeptide angiotensin II receptor antagonists: the next generation in antihypertensive therapy. | Journal of medicinal chemistry 19960202 |
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