Bromocriptine

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 430
Total Number of Articles : 1691
PubChem 31101
Molecular Formula

C32H40BrN5O5

SMILES

CC(C)C[C@H]1C(=O)N2CCC[C@H]2[C@]3(N1C(=O)[C@](O3)(C(C)C)NC(=O)[C@H]4CN([C@@H]5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O

InChI

InChI=1S/C32H40BrN5O5/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39)/t18-,23-,24+,25+,31-,32+/m1/s1

synonyms
  • bromocriptine
  • Bromocryptine
  • 25614-03-3
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Properties
Property Value
MW 654.6 g/mol
HBD 3
HBA 6
Rotatable Bond Count 5
Exact Mass 653.22128 g/mol
Monoisotopic Mass 653.22128 g/mol
Heavy Atom Count 43
Isotope Atom Count 0
Atom Stereo Count 6
Covalent Unit Count 1
Complexity 1230
xlogp 3.8
Topological Polar Surface Area 118