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
SMILES / InChI / InChIKey
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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)
InChI Key RUZYUOTYCVRMRZ-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1990))
IUPAC Name Click here for help
2-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-6,7-dimethoxy-3,4-dihydroquinazolin-4-imine
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
CAS Registry No. 74191-85-8
ChEMBL Ligand CHEMBL707
DrugBank Ligand DB00590
DrugCentral Ligand 954
GtoPdb PubChem SID 178103745
PubChem CID 3157
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Wikipedia Doxazosin