Irinotecan

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 788
Total Number of Articles : 1989
PubChem 60838
Molecular Formula

C33H38N4O6

SMILES

CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7

InChI

InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1

synonyms
  • irinotecan
  • 97682-44-5
  • (+)-Irinotecan
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Properties
Property Value
MW 586.7 g/mol
HBD 1
HBA 8
Rotatable Bond Count 5
Exact Mass 586.27913494 g/mol
Monoisotopic Mass 586.27913494 g/mol
Heavy Atom Count 43
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 1200
xlogp 3
Topological Polar Surface Area 113