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Fonsartan

CAT: 0804-HY-19224Size: 1 EachDry Ice: NoHazardous: No
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Description
Fonsartan (HR720) is an AT1 receptor antagonist. Fonsartan can be used for the study of myocardial infarction (MI) [1][2].
CAS Number
153235-15-5
Product Name Alternative
HR 720
UNSPSC
12352005
Target
Angiotensin Receptor
Related Pathways
GPCR/G Protein
Field of Research
Cardiovascular Disease
Smiles
O=C(C1=C(SC)N=C(CCCC)N1CC2=CC=C(C3=C(S(=O)(N([K])C(NCCC)=O)=O)C=CC=C3)C=C2)O[K]
Molecular Formula
C26H30K2N4O5S2
Molecular Weight
620.87
References & Citations
[1]Xia QG, et al. Significance of timing of angiotensin AT1 receptor blockade in rats with myocardial infarction-induced heart failure. Cardiovasc Res. 2001 Jan;49 (1) :110-7.|[2]Jin D, et al. Pharmacological profiles of a novel non-peptide angiotensin II type I receptor antagonist HR720 in vitro and in vivo. Jpn J Pharmacol. 1997 Nov;75 (3) :259-66.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
AT1 Receptor

Chemical Information

Fonsartan

an angiotensin II receptor antagonist; structure given in first source

CAS Number153235-15-5
PubChem CID11585346
IUPAC Namedipotassium;2-butyl-5-methylsulfanyl-3-[[4-[2-[(C-oxido-N-propylcarbonimidoyl)sulfamoyl]phenyl]phenyl]methyl]imidazole-4-carboxylate
Molecular FormulaC26H30K2N4O5S2
Molecular Weight620.9
Topological Polar Surface Area173
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Heavy Atom Count39
Formal Charge0
Complexity852
SMILES
CCCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(=NCCC)[O-])C(=O)[O-])SC.[K+].[K+]
InChI
InChI=1S/C26H32N4O5S2.2K/c1-4-6-11-22-28-24(36-3)23(25(31)32)30(22)17-18-12-14-19(15-13-18)20-9-7-8-10-21(20)37(34,35)29-26(33)27-16-5-2;;/h7-10,12-15H,4-6,11,16-17H2,1-3H3,(H,31,32)(H2,27,29,33);;/q;2*+1/p-2
InChIKey
WGZNJDWXOFLZKQ-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Fonsartan
CAS: 153235-15-5
CID: 11585346
Formula: C26H30K2N4O5S2
MW: 620.9
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight620.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count12
Exact Mass620.0931754
Monoisotopic Mass620.0931754
Topological Polar Surface Area173 Ų
Heavy Atom Count39
Formal Charge0
Complexity852
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes