Basic information
- CAS
145781-32-4- Standard SMILES
CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc2oc(-c3ccccc3-c3nn[nH]n3)c(Br)c2c1- InChIKey
FIKYECRHLXONOX-UHFFFAOYSA-N- Molecular formula
- C24H20BrClN6O3
- Average molar mass
- 555.8 g/mol
- Monoisotopic mass
- 554.04688
Overview
Zolasartan is a member of the class of 1-benzofurans that is 3-bromo-1-benzofuran which is substituted by a 2-(1H-tetrazol-5-yl)phenyl group at position 2 and by a (2-butyl-5-carboxy-4-chloro-1H-imidazol-1-yl)methyl group at position 5. It is an angiotensin II receptor type 1 (AT1) antagonist and was in clinical trials for the treatment of hypertension (now discontinued). It has a role as an antihypertensive agent and an angiotensin receptor antagonist. It is a monocarboxylic acid, a member of tetrazoles, an organochlorine compound, an organobromine compound, an imidazolyl carboxylic acid, a member of 1-benzofurans and a biaryl. It is a conjugate acid of a zolasartan(2-).
Names & identifiers
- Preferred name
- Zolasartan
- IUPAC
- 3-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid
- English name
- Zolasartan
- Molecular formula
- C24H20BrClN6O3
- Molecular weight
- 555.818
Names & synonyms
Zolasartan145781-32-4GR-117289zolasartanumGR 117289CGR1172896NA6UHB9SWGR 117289XGR-117289CGR-117289XGR 117289CHEBI:149761
Show more names
1H-Imidazole-5-carboxylic acid, 1-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-5-benzofuranyl]methyl]-2-butyl-4-chloro-
DTXSID70163156GR117289XRefChem:196212DTXCID70856473-[[3-bromo-2-[2-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid1-((3-Bromo-2-(o-1H-tetrazol-5-ylphenyl)-5-benzofuranyl)methyl)-2-butyl-4-chloroimidazole-5-carboxylic acidGR 117289;GR 117289C;GR 117289X1-((3-bromo-2-(2-(1H-tetrazol-5-yl)phenyl)-5-benzofuranyl)methyl)-2-butyl-4-chloro-1H-imidazole-5-carboxylic acid
Database identifiers
- CAS
145781-32-4- PubChem CID
- 72168
- DTXSID
DTXSID70163156- ChEMBL
CHEMBL304639- ChEBI
CHEBI:149761- UNII
- 6NA6UHB9SW
- Nikkaji
- J533.233H
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 739
Physicochemical properties
- Boiling point
- 773.3 · 773.3±70.0 °C(Predicted)
- Density
- 1.67 · 1.67±0.1 g/cm3(Predicted)
- pka
- 0.74 · 0.74±0.50(Predicted)
- FDA UNII
- 6 NA6UHB9SW · 6NA6UHB9SW
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationAgents that antagonize ANGIOTENSIN II TYPE 1 RECEPTOR. Included are ANGIOTENSIN II analogs such as SARALASIN and biphenylimidazoles such as LOSARTAN. Some are used as ANTIHYPERTENSIVE AGENTS.
Applications
UsesZolasartan is an active compound.
Suppliers4 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: Zolasartan is a member of the class of 1-benzofurans that is 3-bromo-1-benzofuran which is substituted by a 2-(1H-tetrazol-5-yl)phenyl group at position 2 and by a (2-butyl-5-carboxy-4-chloro-1H-imidazol-1-yl)methyl group at position 5. It is an angiotensin II receptor type 1 (AT1) antagonist and was in clinical trials for the treatment of hypertension (now discontinued). It has a role as an angiotensin receptor antagonist and an antihypertensive agent. It is a member of tetrazoles, an imidazolyl carboxylic acid, a member of 1-benzofurans, an organochlorine compound, an organobromine compound, a monocarboxylic acid and a biaryl. It is a conjugate acid of a zolasartan(2-).
Related reactions
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Compound notes
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