zolmitriptan

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 38
Total Number of Articles : 86
PubChem 60857
Molecular Formula

C16H21N3O2

SMILES

CN(C)CCC1=CNC2=C1C=C(C=C2)C[C@H]3COC(=O)N3

InChI

InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1

synonyms
  • zolmitriptan
  • 139264-17-8
  • Zomig
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Properties
Property Value
MW 287.36 g/mol
HBD 2
HBA 3
Rotatable Bond Count 5
Exact Mass 287.16337692 g/mol
Monoisotopic Mass 287.16337692 g/mol
Heavy Atom Count 21
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 375
xlogp 2.2
Topological Polar Surface Area 57.4