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 Isavuconazonium sulfate product page for in-depth specifications, including solubility, stock solutions, MOA, and working concentrations.

Chemical Information

CAS Number 946075-13-4
Molecular Formula

C35H35F2N8O5S.HO4S
Molecular Weight (MW) 814.84
SMILES CNCC(=O)OCC1=C(N=CC=C1)N(C)C(=O)OC(C)[N+]2=C[N](CC(O)(C(C)C3=NC(=CS3)C4=CC=C(C=C4)C#N)C5=C(F)C=CC(=C5)F)N=C2.O[S]([O-])(=O)=O

How to Prepare Stock Solution?

Concentration Volume Mass
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Solubility

Batch:
All in vitro solubility values are batch-tested experimental data (non-literature values).
Solvent Solubility & Note
DMSO 100 mg/mL (122.72 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 100 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.