10-methoxy-9-nitrocamptothecin

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 14
Total Number of Articles : 3
PubChem 24850660
Molecular Formula

C21H17N3O7

SMILES

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=C(C=CC(=C5OC)[N+](=O)[O-])N=C4C3=C2)O

InChI

InChI=1S/C21H17N3O7/c1-3-21(27)13-7-16-17-10(8-23(16)19(25)12(13)9-31-20(21)26)6-11-14(22-17)4-5-15(24(28)29)18(11)30-2/h4-7,27H,3,8-9H2,1-2H3/t21-/m0/s1

synonyms
  • 10-methoxy-9-nitrocamptothecin
  • (19S)-19-Ethyl-19-hydroxy-8-methoxy-7-nitro-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
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Properties
Property Value
MW 423.4 g/mol
HBD 1
HBA 8
Rotatable Bond Count 2
Exact Mass 423.10664989 g/mol
Monoisotopic Mass 423.10664989 g/mol
Heavy Atom Count 31
Isotope Atom Count 0
Atom Stereo Count 1
Covalent Unit Count 1
Complexity 909
xlogp 0.8
Topological Polar Surface Area 135