indocyanine green

Ligand Id: 4844
Ligand name indocyanine green

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 14
Topological polar surface area 137.41
Molecular weight 774.28
XLogP 10.54
No. Lipinski's rules broken 2

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
IUPAC Name
sodium 4-[2-[(1E,3E,5E,7Z)-7-[1,1-dimethyl-3-(4-sulfonatobutyl)benzo[e]indol-2-ylidene]hepta-1,3,5-trienyl]-1,1-dimethylbenzo[e]indol-3-ium-3-yl]butane-1-sulfonate
Synonyms
cardio-green
Database Links
CAS Registry No. 3599-32-4 (source: Scifinder)
ChEMBL Ligand CHEMBL1646
PubChem CID 19190
Search Google for chemical match using the InChIKey MOFVSTNWEDAEEK-UHFFFAOYSA-M
Search Google for chemicals with the same backbone MOFVSTNWEDAEEK
Wikipedia Indocyanine_Green