Bunazosin hydrochlorideProduct ingredient for Bunazosin

Name
Bunazosin hydrochloride
Drug Entry
Bunazosin

Bunazosin has been used in trials studying the treatment of High Blood Pressure.

Accession Number
DBSALT002161
Structure
Synonyms
Bunazosin HCl / Bunazosin hydrochloride
External IDs
E-643 / E643
UNII
18V54TZ7U6
CAS Number
52712-76-2
Weight
Average: 409.92
Monoisotopic: 409.1880675
Chemical Formula
C19H28ClN5O3
InChI Key
NBGBEUITCPENLJ-UHFFFAOYSA-N
InChI
InChI=1S/C19H27N5O3.ClH/c1-4-6-17(25)23-7-5-8-24(10-9-23)19-21-14-12-16(27-3)15(26-2)11-13(14)18(20)22-19;/h11-12H,4-10H2,1-3H3,(H2,20,21,22);1H
IUPAC Name
1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one hydrochloride
SMILES
Cl.CCCC(=O)N1CCCN(CC1)C1=NC(N)=C2C=C(OC)C(OC)=CC2=N1
ChemSpider
103163
ChEBI
31320
ChEMBL
CHEMBL3182014
Predicted Properties
PropertyValueSource
Water Solubility0.584 mg/mLALOGPS
logP2.66ALOGPS
logP1.94Chemaxon
logS-2.8ALOGPS
pKa (Strongest Basic)7.26Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area93.81 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity105.53 m3·mol-1Chemaxon
Polarizability40.08 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon