CHEBI:4709 - doxazosin mesylate

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ChEBI Name doxazosin mesylate
ChEBI ID CHEBI:4709
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C23H25N5O5.CH4SO3
Net Charge 0
Average Mass 547.58196
Monoisotopic Mass 547.17368
InChI InChI=1S/C23H25N5O5.CH4O3S/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;1-5(2,3)4/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26);1H3,(H,2,3,4)
InChIKey VJECBOKJABCYMF-UHFFFAOYSA-N
SMILES [H+].CS([O-])(=O)=O.COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2ccccc2O1
ChEBI Ontology
Outgoing doxazosin mesylate (CHEBI:4709) has part doxazosin (CHEBI:4708)
doxazosin mesylate (CHEBI:4709) is a methanesulfonate salt (CHEBI:38037)
IUPAC Name
2-[4-(2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazin-1-yl]-6,7-dimethoxyquinazolin-4-amine methanesulfonate
Synonym Source
1-(4-Amino-6,7-dimethoxy-2-quinazolinyl)-4-(1,4-benzodioxan-2-ylcarbonyl)piperazine monomethanesulfonate ChemIDplus
Manual Xrefs Databases
D00608 KEGG DRUG
DB00590 DrugBank
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Registry Number Type Source
77883-43-3 CAS Registry Number ChemIDplus
Last Modified
10 December 2008