Doxazosin mesylateProduct ingredient for Doxazosin

Name
Doxazosin mesylate
Drug Entry
Doxazosin

Doxazosin is an alpha-1 antagonist used for the treatment of benign prostatic hypertrophy (BPH) symptoms and hypertension. Other members of this drug class include Prazosin, Terazosin, Tamsulosin, and Alfuzosin.8 Because of its long-lasting effects, doxazosin can be administered once a day.5 It is marketed by Pfizer and was initially approved by the FDA in 1990.20

Accession Number
DBSALT001948
Structure
Synonyms
Doxazosin (as mesilate) / Doxazosin mesilate / Doxazosin methanesulfonate / Methanesulfonate (1:1)
External IDs
UK-33,274-27
UNII
86P6PQK0MU
CAS Number
77883-43-3
Weight
Average: 547.58
Monoisotopic: 547.173684088
Chemical Formula
C24H29N5O8S
InChI Key
VJECBOKJABCYMF-UHFFFAOYSA-N
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)
IUPAC Name
2-[4-(2,3-dihydro-1,4-benzodioxine-2-carbonyl)piperazin-1-yl]-6,7-dimethoxy-3,4-dihydroquinazolin-4-imine; methanesulfonic acid
SMILES
CS(O)(=O)=O.COC1=C(OC)C=C2C(=N)NC(=NC2=C1)N1CCN(CC1)C(=O)C1COC2=CC=CC=C2O1
KEGG Drug
D00608
ChemSpider
56686
ChEBI
4709
ChEMBL
CHEMBL1200561
Wikipedia
Doxazosin
Predicted Properties
PropertyValueSource
Water Solubility0.112 mg/mLALOGPS
logP1.49ALOGPS
logP1.32Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)12.39Chemaxon
pKa (Strongest Basic)5.45Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area108.71 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity132.18 m3·mol-1Chemaxon
Polarizability46.68 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon