Bromosulfalein

Base Information

• Chemical Name: Bromosulfalein
• CAS No.: 123359-42-2
• Deprecated CAS: 51176-96-6
• Molecular Formula: C20H8Br4Na2O10S2
• Molecular Weight: 838.00
• Hs Code.: 29329900
• European Community (EC) Number: 200-761-0,626-376-1
• DSSTox Substance ID: DTXSID9023621
• Wikipedia: Bromsulfthalein
• Wikidata: Q926998
• Pharos Ligand ID: PBV386QP2LHX
• ChEMBL ID: CHEMBL453904
• Mol file: 123359-42-2.mol

Synonyms:Bromosulfophthalein;Bromosulphthalein;Bromsulphalein;Bromthalein;Disodium, Sulfobromophthalein;Sodium, Sulfobromophthalein;Sulfobromophthalein;Sulfobromophthalein Disodium;Sulfobromophthalein Sodium;Tetrabromsulphthalein

Chemical Property of Bromosulfalein

Chemical Property:

• Appearance/Colour: white crystalline powder
• Melting Point: -44°C
• Boiling Point: 227 °C
• Flash Point: 202?°F
• PSA: 205.76000
• Density: 0.866?g/mL?at 25?°C(lit.)
• LogP: 6.57600
• Storage Temp.: room temp
• Solubility.: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 837.60468
• Heavy Atom Count: 38
• Complexity: 994

Purity/Quality:

98%,99%, ^*data from raw suppliers

Sulfobromophthalein disodium salt hydrate used to study hepatocyte transport functions ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 42/43-R42/43
• Safety Statements: 22-36/37-45-S45-S36/37-S22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC(=C(C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]
• Description: A blue dye used in the assessment of hepatobiliary dysfunction. The concentration in plasma is monitored since dye removal from the blood is delayed in hepatic dysfunction. Experimentally the appearance of sulfobromphthalein in the bile can also be measured.
• Uses: Medicine (diagnostic aid). Sulfobromophthalein disodium salt hydrate has been used as a positive control to study the interaction of 11-keto-β-boswellic acid (KBA) and 3-acetyl-11-keto-β-boswellic acid (AKBA) with organic anion transporter OATP1B3.