rubitecan

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 19
Total Number of Articles : 15
PubChem 472335
Molecular Formula

C20H15N3O6

SMILES

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC=C5[N+](=O)[O-])N=C4C3=C2)O

InChI

InChI=1S/C20H15N3O6/c1-2-20(26)13-7-16-17-10(8-22(16)18(24)12(13)9-29-19(20)25)6-11-14(21-17)4-3-5-15(11)23(27)28/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1

synonyms
  • Rubitecan
  • 9-Nitrocamptothecin
  • 91421-42-0
Click to show/hide the synonyms
Properties
Property Value
MW 393.3 g/mol
HBD 1
HBA 7
Rotatable Bond Count 1
Exact Mass 393.09608521 g/mol
Monoisotopic Mass 393.09608521 g/mol
Heavy Atom Count 29
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 861
xlogp 0.8
Topological Polar Surface Area 126