evans blue dye

Ligand id: 4579

Name: evans blue dye

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 20
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 397.28
Molecular weight 959.98
XLogP 3.64
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
tetrasodium (6E)-4-amino-6-[[4-[4-[(2E)-2-(8-amino-1-oxo-5,7-disulfonatonaphthalen-2-ylidene)hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-5-oxonaphthalene-1,3-disulfonate
Synonyms
T-1824
Database Links
CAS Registry No. 314-13-6 (source: Scifinder)
PubChem CID 9566057
Search Google for chemical match using the InChIKey KBNIFDASRCWYGC-GXNXWABVSA-J
Search Google for chemicals with the same backbone KBNIFDASRCWYGC
Search UniChem for chemical match using the InChIKey KBNIFDASRCWYGC-GXNXWABVSA-J
Search UniChem for chemicals with the same backbone KBNIFDASRCWYGC
Wikipedia Evans_blue_dye
Comments
There is some ambiguity as to the exact structure of this ligand. The structure we show here matches that in the PubChem entry linked to above. Other common representations include CID 24832074 and CID 6321418.