posaconazole

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 70
Total Number of Articles : 105
PubChem 468595
Molecular Formula

C37H42F2N8O4

SMILES

CC[C@@H]([C@H](C)O)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OC[C@H]5C[C@](OC5)(CN6C=NC=N6)C7=C(C=C(C=C7)F)F

InChI

InChI=1S/C37H42F2N8O4/c1-3-35(26(2)48)47-36(49)46(25-42-47)31-7-5-29(6-8-31)43-14-16-44(17-15-43)30-9-11-32(12-10-30)50-20-27-19-37(51-21-27,22-45-24-40-23-41-45)33-13-4-28(38)18-34(33)39/h4-13,18,23-27,35,48H,3,14-17,19-22H2,1-2H3/t26-,27+,35-,37-/m0/s1

synonyms
  • Posaconazole
  • 171228-49-2
  • Noxafil
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Properties
Property Value
MW 700.8 g/mol
HBD 1
HBA 11
Rotatable Bond Count 12
Exact Mass 700.32970817 g/mol
Monoisotopic Mass 700.32970817 g/mol
Heavy Atom Count 51
Isotope Atom Count 0
Atom Stereo Count 4
Covalent Unit Count 1
Complexity 1170
xlogp 4.6
Topological Polar Surface Area 112