Cabergoline

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 125
Total Number of Articles : 365
PubChem 54746
Molecular Formula

C26H37N5O2

SMILES

CCNC(=O)N(CCCN(C)C)C(=O)[C@@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)CC=C

InChI

InChI=1S/C26H37N5O2/c1-5-11-30-17-19(25(32)31(26(33)27-6-2)13-8-12-29(3)4)14-21-20-9-7-10-22-24(20)18(16-28-22)15-23(21)30/h5,7,9-10,16,19,21,23,28H,1,6,8,11-15,17H2,2-4H3,(H,27,33)/t19-,21-,23-/m1/s1

synonyms
  • cabergoline
  • 81409-90-7
  • Dostinex
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Properties
Property Value
MW 451.6 g/mol
HBD 2
HBA 4
Rotatable Bond Count 8
Exact Mass 451.29472544 g/mol
Monoisotopic Mass 451.29472544 g/mol
Heavy Atom Count 33
Isotope Atom Count 0
Atom Stereo Count 3
Covalent Unit Count 1
Complexity 713
xlogp 3.4
Topological Polar Surface Area 71.7