2D Structure
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2D chemical structural formula diagram.

3D Structure
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This 3D model represents a theoretically simulated conformation and is for reference only.

Check the Isosulfan Blue product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

IUPAC Name sodium 2-[[4-(diethylamino)phenyl]-(4-diethylazaniumylidenecyclohexa-2,5-dien-1-ylidene)methyl]benzene-1,4-disulfonate
CAS Number 68238-36-8
Molecular Formula

C27H31N2NaO6S2
Molecular Weight (MW) 566.66
SMILES [Na+].CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(C=C2)=[N+](CC)CC)C3=C(C=CC(=C3)[S]([O-])(=O)=O)[S]([O-])(=O)=O
InChIKey NLUFDZBOHMOBOE-UHFFFAOYSA-M

How to Prepare Stock Solution?

Concentration Volume Mass
🧮 Molarity Calculator

Solubility

Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
Solvent Solubility & Note
DMSO 100 mg/mL (176.47 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO. The recommended stock concentration is 10 mM in DMSO.)
Water 100 mg/mL
Ethanol 5 mg/mL
FAQ
Q: Why does a DMSO stock precipitate in media/saline?
A: It is caused by unheated aqueous media (supersaturation), local solvent shock, or incorrect mixing sequence.
How to fix it?
  • Preheat media/saline to 37°C.
  • Mix rapidly (pipette/vortex) upon addition.
  • For complex mixes, always add the aqueous phase last.
  • Re-dissolve minor precipitates with a 37°C water bath and sonication (≤30 min).

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Note: Technical data last updated: Sep 1, 2026.