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Bunazosin Hydrochloride

CAT: 1410-M27861-01Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1410-M27861-01Size:1 Each
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Description
Bunazosin Hydrochloride is an alpha (1) -adrenoceptor antagonist used as a systemic antihypertensive and an ocular hypotensive drug.
CAS Number
52712-76-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
409.92
Molecular Formula
C19H28ClN5O3
Notes
Research use only, not for human use.
Receptor
GSK-3β

Chemical Information

Bunazosin Hydrochloride

Bunazosin hydrochloride is a member of quinazolines.

CAS Number52712-76-2
PubChem CID115305
IUPAC Name1-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one;hydrochloride
Molecular FormulaC19H28ClN5O3
Molecular Weight409.9
Topological Polar Surface Area93.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count28
Formal Charge0
Complexity494
SMILES
CCCC(=O)N1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)N)OC)OC.Cl
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
InChIKey
NBGBEUITCPENLJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bunazosin Hydrochloride
CAS: 52712-76-2
CID: 115305
Formula: C19H28ClN5O3
MW: 409.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight409.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass409.1880675
Monoisotopic Mass409.1880675
Topological Polar Surface Area93.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity494
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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