isavuconazonium (cresemba) Report issue

Small molecule Orphan Drug FDA Approved FDA Priority Review FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA MeSH PubChem repoDB

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Chemistry

Mol. Mass

717.78

ALogP

4.58

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CNCC(=O)OCc1cccnc1N(C)C(=O)OC(C)[n+]2cnn(C[C@@](O)([C@@H](C)c3nc(cs3)c4ccc(cc4)C#N)c5cc(F)ccc5F)c2
  • InChIKey: RSWOJTICKMKTER-QXLBVTBOSA-N
    InChI=1S/C35H35F2N8O5S/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/h5-14,18,20-23,39,48H,16-17,19H2,1-4H3/q+1/t22-,23?,35+/m0/s1
  • Chirality: Racemic Mixture
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1183349   ChEMBL
isavuconazonium *

CHEMBL3137333   ChEMBL
isavuconazonium sulfate

CHEMBL409153   ChEMBL
isavuconazole

60UTO373KE   NCATS
isavuconazole *

Isavuconazonium   Wikipedia

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