bromsulphthalein

Ligand id: 4506

Name: bromsulphthalein

Abbreviated name: BSP

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 197.92
Molecular weight 833.61
XLogP 5.24
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
disodium 2-hydroxy-5-[4,5,6,7-tetrabromo-1-(4-hydroxy-3-sulfonatophenyl)-3-oxo-1,3-dihydro-2-benzofuran-1-yl]benzene-1-sulfonate
Synonyms
bromosulfophthalein | BSP | sulfobromophthalein
Database Links
CAS Registry No. 71-67-0 (source: Scifinder)
PubChem CID 6282
Search Google for chemical match using the InChIKey GHAFORRTMVIXHS-UHFFFAOYSA-L
Search Google for chemicals with the same backbone GHAFORRTMVIXHS
Search UniChem for chemical match using the InChIKey GHAFORRTMVIXHS-UHFFFAOYSA-L
Search UniChem for chemicals with the same backbone GHAFORRTMVIXHS
Wikipedia Bromsulphthalein
Comments
This ligand is represented on ChEMBL by CHEMBL574431.