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Brimonidine

CAT: 0127-BUP10674-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10674-03Size:50 mg
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CAS Number
59803-98-4
Synonyms
AGN190342, Bromoxidine, AGN 190342, AGN-190342
Purity
=98%
Smiles
BrC1=C(NC2=NCCN2)C=CC2=NC=CN=C12

Chemical Information

Brimonidine

Brimonidine is a member of imidazoles, a secondary amine and a quinoxaline derivative. It has a role as an alpha-adrenergic agonist, an antihypertensive agent and an adrenergic agonist.

CAS Number59803-98-4
PubChem CID2435
IUPAC Name5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine
Molecular FormulaC11H10BrN5
Molecular Weight292.13
XLogP0.6
Topological Polar Surface Area62.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity308
SMILES
C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br
InChI
InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17)
InChIKey
XYLJNLCSTIOKRM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Brimonidine
CAS: 59803-98-4
CID: 2435
Formula: C11H10BrN5
MW: 292.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.13
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass291.01196
Monoisotopic Mass291.01196
Topological Polar Surface Area62.2 Ų
Heavy Atom Count17
Formal Charge0
Complexity308
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
FB19008-01Brimonidine
317332Brimonidine Tartrate
AR-B02001-01Brimonidine Dimer

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