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Doxazosin 500mg

CAT: 0628-A17779-500Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0628-A17779-500Size:500 mg
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CAS Number
74191-85-8

Chemical Information

Doxazosin

Doxazosin is a 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. It has a role as an antineoplastic agent, a vasodilator agent, an antihypertensive agent, an alpha-adrenergic antagonist and an antihyperplasia drug. It is a monocarboxylic acid amide, an aromatic amine, a member of quinazolines, a N-acylpiperazine, a N-arylpiperazine and a benzodioxine.

CAS Number74191-85-8
PubChem CID3157
IUPAC Name[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-(2,3-dihydro-1,4-benzodioxin-3-yl)methanone
Molecular FormulaC23H25N5O5
Molecular Weight451.5
XLogP2.5
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity678
SMILES
COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC
InChI
InChI=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)
InChIKey
RUZYUOTYCVRMRZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Doxazosin
CAS: 74191-85-8
CID: 3157
Formula: C23H25N5O5
MW: 451.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight451.5
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count4
Exact Mass451.18556891
Monoisotopic Mass451.18556891
Topological Polar Surface Area112 Ų
Heavy Atom Count33
Formal Charge0
Complexity678
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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