Details of the Active Pharmaceutical Ingredient (API)

General Information of API (ID: D00893)
Name
Brimonidine tartrate
Synonyms    Click to Show/Hide the Synonyms of This API
BRIMONIDINE TARTRATE; 70359-46-5; Alphagan; Brimonidine tartarate; Brimonidine D-tartrate; UNII-4S9CL2DY2H; Brimonidinne tartrate; 5-Bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine (2R,3R)-2,3-dihydroxysuccinate; 4S9CL2DY2H; Brimonidine L-Tartrate; Brimonidine D-tartarate; Qoliana; (5-Bromo-quinoxalin-6-yl)-(4,5-dihydro-1h-imidazol-2-yl)-amine L-tartrate; brimonidine Purite; 59803-99-5; UK-14304-18; C11H10BrN5.C4H6O6; AGN 190342-LF; Alphagan-P; AGN 190342LF; Brimonidine tartrate [USAN:JAN]; N-(5-bromoquinoxalin-6-yl)imidazolidin-2-imine;(2R,3R)-2,3-dihydroxybutanedioic acid; Alphagan (TN); 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2R,3R)-2,3-dihydroxybutanedioic acid; 5-bromo-N-; UK 14,304 (tartrate); SCHEMBL265607; Brimonidine (UK-14304 ); CHEMBL1200389; HY-B0659A; DTXSID70911371; Brimonidine tartrate (JAN/USAN); HMS3715P18; ACT08633; EBD23481; MFCD07773072; AKOS016845265; CCG-221278; CS-4496; AS-18083; AB0021226; W0014; A19740; D02076; 359B465; (4,5-Bihydro-1H-imidazol-2-yl)quinoxalin-6-amine L-tartrate; 5-Bromo-N-(4,5-dihydro-1H-imidazol-2-yl) quinoxalin-6-amine tartrate; 6-Quinoxalinamine, 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-, (R-(R*,R*))-2,3-dihydroxybutanedioate (1:1)
Clinical Status
Approved
PubChem CID
54405
Formula
C15H16BrN5O6
Canonical SMILES
C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
InChI
1S/C11H10BrN5.C4H6O6/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8;5-1(3(7)8)2(6)4(9)10/h1-4H,5-6H2,(H2,15,16,17);1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChIKey
QZHBYNSSDLTCRG-LREBCSMRSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This API
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=54405"></iframe>
3D MOL is unavailable 2D MOL
Physicochemical Properties Molecular Weight 442.22 Topological Polar Surface Area 177
XlogP N.A. Complexity 442
Heavy Atom Count 27 Rotatable Bond Count 5
Hydrogen Bond Donor Count 6 Hydrogen Bond Acceptor Count 9
Full List of Drug Formulations (DFMs) Containing This API
          Brimonidine Tartrate 0.2% solution Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Benzalkonium Chloride; Citric Acid; Polyvinyl Alcohol; Sodium Chloride; Sodium Citrate; Purified Water
                   Dosage Form Solution
                   Company Allergan
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Sodium citrate anhydrous DIG Info Carbonic anhydrase IV (Ki = 99 nM) [1]
Kyselina citronova DIG Info Perilipin-1 (IC50 = 3708 nM) [2]
Benzalkonium chloride DIG Info Solute carrier SLCO2B1 (Ki = 62.1 uM) [3]
Polyvinyl alcohol DIG Info Debrisoquine 4-hydroxylase (EC50 = 354.8 uM) [4]
          Brimonidine Tartrate 0.15% solution Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Povidone; Boric Acid; Sodium Borate; Calcium Chloride; Magnesium Chloride; Potassium Chloride; Mannitol; Sodium Chloride; Purified Water
                   Dosage Form Solution
                   Company Sandoz
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Mannitol DIG Info Glycine receptor alpha-1 (EC50 = 12589.25 nM) [5]
Potassium chloride DIG Info Carbonic anhydrase IV (Ki = 90000 nM) [6]
Povidone DIG Info Cholesterol 25-hydroxylase (IC50 = 78.3 uM) [4]
          Brimonidine Tartrate 0.025% solution Click to Show/Hide the Full List of Formulation(s):          1 Formulation(s)
             Drug Formulation 1 DFM Info click to show the detail info of this DFM
                   All DIGs    Click to Show/Hide the Full List of DIGs in This DFM
Benzalkonium Chloride; Boric Acid; Calcium Chloride Dihydrate; Glycerin; Potassium Chloride; Sodium Borate Decahydrate; Sodium Chloride; Water
                   Dosage Form Solution
                   Company Bausch & Lomb orporated
                   DIG(s) with
                   Biological Activity
DIG Name DIG Info Representative Biological Activity of This DIG REF
Potassium chloride DIG Info Carbonic anhydrase IV (Ki = 90000 nM) [6]
Benzalkonium chloride DIG Info Solute carrier SLCO2B1 (Ki = 62.1 uM) [3]
References
1 Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with carboxylates. Bioorg Med Chem Lett. 2005 Feb 1; 15(3):573-8.
2 PubChem BioAssay data set.
3 Bacterial metabolism rescues the inhibition of intestinal drug absorption by food and drug additives. Proc Natl Acad Sci U S A. 2020 Jul 7;117(27):16009-16018.
4 Mediation of in vitro cytochrome p450 activity by common pharmaceutical excipients. Mol Pharm. 2013 Jul 1;10(7):2739-48.
5 Pharmacological property optimization for allosteric ligands: A medicinal chemistry perspective. Bioorg Med Chem Lett. 2017 Jun 1; 27(11):2239-2258.
6 Characterization and anions inhibition studies of an -carbonic anhydrase from the teleost fish Dicentrarchus labrax. Bioorg Med Chem. 2011 Jan 15; 19(2):744-8.

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