doxazosin   Click here for help

GtoPdb Ligand ID: 7170

Synonyms: Cardura® | UK-3327427
Approved drug
doxazosin is an approved drug (FDA (1990))
Compound class: Synthetic organic
Comment: Doxazosin blocks α1-adrenoceptors.
Marketed formulations may contain doxazosin mesylate (PubChem CID 62978).
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 113
Molecular weight 451.19
XLogP 3.44
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2
Isomeric SMILES COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2
InChI InChI=1S/C23H25N5O5/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1990))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
5143 doxazosin
Synonyms Click here for help
Cardura® | UK-3327427
Database Links Click here for help
Specialist databases
GPCRdb Ligand doxazosin
Other databases
CAS Registry No. 74191-85-8
DrugBank Ligand DB00590
DrugCentral Ligand 954
GtoPdb PubChem SID 178103745
PubChem CID 3157
Search Google for chemical match using the InChIKey RUZYUOTYCVRMRZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RUZYUOTYCVRMRZ
Search PubMed clinical trials doxazosin
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UniChem Compound Search for chemical match using the InChIKey RUZYUOTYCVRMRZ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RUZYUOTYCVRMRZ-UHFFFAOYSA-N
Wikipedia Doxazosin