U 74389F

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 18
Total Number of Articles : 17
PubChem 104933
Molecular Formula

C38H54N6O5S

SMILES

C[C@]12CC=C3[C@H]([C@@H]1CC[C@@H]2C(=O)CN4CCN(CC4)C5=NC(=NC(=C5)N6CCCC6)N7CCCC7)CCC8=CC(=O)C=C[C@@]83C.CS(=O)(=O)O

InChI

InChI=1S/C37H50N6O2.CH4O3S/c1-36-13-11-27(44)23-26(36)7-8-28-29-9-10-31(37(29,2)14-12-30(28)36)32(45)25-40-19-21-42(22-20-40)34-24-33(41-15-3-4-16-41)38-35(39-34)43-17-5-6-18-43;1-5(2,3)4/h11-13,23-24,28-29,31H,3-10,14-22,25H2,1-2H3;1H3,(H,2,3,4)/t28-,29-,31+,36-,37-;/m0./s1

synonyms
  • Trilazad mesylate
  • 111668-89-4
  • U 74389G
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Properties
Property Value
MW 706.9 g/mol
HBD 1
HBA 11
Rotatable Bond Count 6
Exact Mass 706.38764002 g/mol
Monoisotopic Mass 706.38764002 g/mol
Heavy Atom Count 50
Isotope Atom Count 0
Atom Stereo Count 5
Covalent Unit Count 2
Complexity 1350
xlogp None
Topological Polar Surface Area 136