ISAVUCONAZONIUM SULFATE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 31Q44514JV

Structure

InChI Key LWXUIUUOMSMZKJ-KLFWAVJMSA-M
Smiles CNCC(=O)OCc1cccnc1N(C)C(=O)OC(C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1.O=S(=O)([O-])O
InChI
InChI=1S/C35H35F2N8O5S.H2O4S/c1-22(33-42-30(18-51-33)25-9-7-24(15-38)8-10-25)35(48,28-14-27(36)11-12-29(28)37)19-45-21-44(20-41-45)23(2)50-34(47)43(4)32-26(6-5-13-40-32)17-49-31(46)16-39-3;1-5(2,3)4/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3;(H2,1,2,3,4)/q+1;/p-1/t22-,23?,35+;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C35H36F2N8O9S2
Molecular Weight 814.85
AlogP 4.58
Hydrogen Bond Acceptor 12.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 13.0
Polar Surface Area 159.37
Molecular species NEUTRAL
Aromatic Rings 5.0
Heavy Atoms 51.0

Pharmacology

Mechanism of Action Action Reference
Lanosterol 14-alpha demethylase inhibitor INHIBITOR FDA

Cross References

Resources Reference
ChEBI 85977
ChEMBL CHEMBL3137333
FDA SRS 31Q44514JV
PubChem 72196309
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