CS-0615938

mono(1-((2R,3R)-3-(4-(4-cyanophenyl)thiazol-2-yl)-2-(2,5-difluorophenyl)-2-hydroxybutyl)-4-(1-(((3-(5,8-dimethyl-2-(3-((2-(methyl-λ4-azanyl)acetoxy)methyl)pyridin-2-yl)-3,7,10-trioxo-4,6,11-trioxa-2,8-diazadodecan-12-yl)pyridin-2-yl)(methyl)carbamoyl)oxy)ethyl)-1H-1,2,4-triazol-4-ium) dichloride Isavuconazole BAL31265 Impurity

Manufacturer: ChemScene

CAS Number: None

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Purity

98%

MDL No

None

Storage

4°C, sealed storage, away from moisture and light

Shipping

Room temperature in continental US; may vary elsewhere.

Molecular Formula

C₄₉H₅₃Cl₂F₂N₁₁O₁₁S-

Molecular Weight

1112.98

Synonyms

None

SMILES

CN(C1=NC=CC=C1COC(CN(C(OC(OC(N(C2=NC=CC=C2COC(C[NH2]C)=O)C)=O)C)=O)C)=O)C(OC(C)[N+]3=CN(N=C3)C[C@](O)(C4=C(C=CC(F)=C4)F)[C@H](C5=NC(C6=CC=C(C=C6)C#N)=CS5)C)=O.[Cl-].[Cl-]

Tpsa

335.07

Logp

4.71478

H Acceptors

22

H Donors

3

Rotatable Bonds

20

SAFETY INFORMATION

Pictograms

N/A

Signal Word

N/A

UN Number

N/A

Class

N/A

Packing Group

N/A

Hazard Statements

N/A

Precautionary Statements

N/A