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CHEBI:4708 - doxazosin

ChEBI IDCHEBI:4708
ChEBI Namedoxazosin
Stars
DefinitionA 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.
Last Modified22 February 2017
DownloadsMolfile
FormulaC23H25N5O5
Net Charge0
Average Mass451.483
Monoisotopic Mass451.18557
SMILESCOc1cc2nc(N3CCN(C(=O)C4COc5ccccc5O4)CC3)nc(N)c2cc1OC
InChIInChI=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)
InChIKeyRUZYUOTYCVRMRZ-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
alpha-adrenergic antagonist  An agent that binds to but does not activate α-adrenergic receptors thereby blocking the actions of endogenous or exogenous α-adrenergic agonists. α-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.
Applications:
vasodilator agent  A drug used to cause dilation of the blood vessels.
antihyperplasia drug  A drug used for the treatment of hyperplasia (increaced cell production within an organ or tissue).
alpha-adrenergic antagonist  An agent that binds to but does not activate α-adrenergic receptors thereby blocking the actions of endogenous or exogenous α-adrenergic agonists. α-Adrenergic antagonists are used in the treatment of hypertension, vasospasm, peripheral vascular disease, shock, and pheochromocytoma.
antihypertensive agent  Any drug used in the treatment of acute or chronic vascular hypertension regardless of pharmacological mechanism.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
doxazosin (CHEBI:4708) has role antihyperplasia drug (CHEBI:59844)
doxazosin (CHEBI:4708) has role antihypertensive agent (CHEBI:35674)
doxazosin (CHEBI:4708) has role antineoplastic agent (CHEBI:35610)
doxazosin (CHEBI:4708) has role vasodilator agent (CHEBI:35620)
doxazosin (CHEBI:4708) has role α-adrenergic antagonist (CHEBI:37890)
doxazosin (CHEBI:4708) is a N-acylpiperazine (CHEBI:46844)
doxazosin (CHEBI:4708) is a N-arylpiperazine (CHEBI:46848)
doxazosin (CHEBI:4708) is a aromatic amine (CHEBI:33860)
doxazosin (CHEBI:4708) is a benzodioxine (CHEBI:64096)
doxazosin (CHEBI:4708) is a monocarboxylic acid amide (CHEBI:29347)
doxazosin (CHEBI:4708) is a quinazolines (CHEBI:38530)
Incoming Relation(s)
doxazosin mesylate (CHEBI:4709) has part doxazosin (CHEBI:4708)
IUPAC Name 
2-[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine
INNs  Source
doxazosinWHO MedNet
doxazosinumWHO MedNet
doxazosineWHO MedNet
doxazosinaWHO MedNet
Synonyms  Source
DoxazosinKEGG COMPOUND
1-(4-Amino-6,7-Dimethoxy-2-quinazolinyl)-4-(1,4-benzodioxan-2-ylcarbonyl)piperazinChemIDplus
1-(4-Amino-6,7-dimethoxy-2-chinazolinyl)-4-(2,3-dihydro-1,4-benzodioxixin-2-ylcarbonyl)piperazinChemIDplus
Manual XrefsDatabases
C06970KEGG COMPOUND
D07874KEGG DRUG
DB00590DrugBank
DE2847623Patent
US4188390Patent
DoxazosinWikipedia
HMDB0014728HMDB
LSM-4335LINCS
954DrugCentral
Registry NumbersSources
Reaxys:731849Reaxys
CAS:74191-85-8KEGG COMPOUND
CAS:74191-85-8ChemIDplus
Citations