levocabastine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 29
Total Number of Articles : 47
PubChem 54385
Molecular Formula

C26H29FN2O2

SMILES

C[C@@H]1CN(CC[C@@]1(C2=CC=CC=C2)C(=O)O)C3CCC(CC3)(C#N)C4=CC=C(C=C4)F

InChI

InChI=1S/C26H29FN2O2/c1-19-17-29(16-15-26(19,24(30)31)21-5-3-2-4-6-21)23-11-13-25(18-28,14-12-23)20-7-9-22(27)10-8-20/h2-10,19,23H,11-17H2,1H3,(H,30,31)/t19-,23?,25?,26-/m1/s1

synonyms
  • levocabastine
  • 79516-68-0
  • Levocabastinum [Latin]
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Properties
Property Value
MW 420.5 g/mol
HBD 1
HBA 5
Rotatable Bond Count 4
Exact Mass 420.22130633 g/mol
Monoisotopic Mass 420.22130633 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 2
Covalent Unit Count 1
Complexity 681
xlogp 2.5
Topological Polar Surface Area 64.3