Molecular Identity
doxazosin
[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
PubChem CID: 3157
Doxazosin is a member of the class of quinazolines that is quinazoline substituted by an amino group at position 4, methoxy groups at positions 6 and 7 and a piperazin-1-yl group at position 2 which in turn is substituted by a 2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl group at position 4. An antihypertensive agent, it is used in the treatment of high blood pressure. It has a role as an antineoplastic agent, a vasodilator agent, an antihypertensive agent, an alpha-adrenergic antagonist and an antihyperplasia drug. It is a monocarboxylic acid amide, an aromatic amine, a member of quinazolines, a N-acylpiperazine, a N-arylpiperazine and a benzodioxine.
2D Structure
Properties
C23H25N5O5
Molecular Formula
451.50
Molecular Weight
g/mol
451.1856
Exact Mass
Da
2.5
XLogP
Drug-like (Lipinski: < 5)
112
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
9
H-Bond Acceptors
678
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
doxazosin74191-85-8DoxazosineDoxazosinaDoxazosinumUK-332741-(4-Amino-6,7-Dimethoxy-2-quinazolinyl)-4-(1,4-benzodioxan-2-ylcarbonyl)piperazinUK 332741-(4-Amino-6,7-dimethoxy-2-chinazolinyl)-4-(2,3-dihydro-1,4-benzodioxixin-2-ylcarbonyl)piperazinC02CA04NW1291F1W8CHEBI:4708DTXSID7022964Piperazine, 1-(4-amino-6,7-dimethoxy-2-quinazolinyl)-4-((2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl)-2-{4-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]piperazin-1-yl}-6,7-dimethoxyquinazolin-4-amine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to doxazosin
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