Brimonidine D-tartrate supplier

Name
Brimonidine D-tartrate
EINECS 629-848-5
CAS No. 70359-46-5
Density
Solubility
Melting Point 207-208 °C (dec.)
Formula C₁₁H₁₀BrN₅^.C₄H₆O₆
Boiling Point 432.6 °C at 760 mmHg
Molecular Weight 442.22
Flash Point 215.4 °C
Transport Information
Appearance Off-white crystalline solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Alphagan P;6-Quinoxalinamine,5-bromo-N-(4,5-dihydro- 1H-imidazol-2-yl)-,(2R,3R)-2,3-dihydroxybutanedioate (1:1);LK 14304-18;Brimonidine tartrate;
PSA 177.26000
LogP -0.52180

Brimonidine D-tartrate Specification

The IUPAC name of Brimonidine Tartrate is 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine;(2R,3R)-2,3-dihydroxybutanedioic acid. With the CAS registry number 70359-46-5, it is also named as Alphagan. The product's categories are antiglaucoma; API; intermediates & fine chemicals; pharmaceuticals. The other registry numbers are 109826-56-4 and 79570-19-7. It is off-white crystalline solid which is an a 2 receptor agonist. Additionally, Brimonidine Tartrate is a drug used to treat glaucoma. It acts via decreasing aqueous humor synthesis.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.49; (4)ACD/LogD (pH 7.4): 0.13; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.57; (8)ACD/KOC (pH 7.4): 27.44; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Flash Point: 215.4 °C; (13)Enthalpy of Vaporization: 68.84 kJ/mol; (14)Boiling Point: 432.6 °C at 760 mmHg; (15)Vapour Pressure: 1.1E-07 mmHg at 25°C; (16)Rotatable Bond Count: 5; (17)Tautomer Count: 4; (18)Exact Mass: 441.028396; (19)MonoIsotopic Mass: 441.028396; (20)Topological Polar Surface Area: 177; (21)Heavy Atom Count: 27; (22)Complexity: 442.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O)[C@@H](O)[C@H](O)C(=O)O.Brc2c1nccnc1ccc2N/C3=N/CCN3
2. InChI:InChI=1/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.0/s1

Product Name

Brimonidine D-tartrate

Brimonidine D-tartrate Specification

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