Camptothecin | SBID = 1906 | Compound | Pubchem logo

Molecular Properties

Interactions: 7
PubChem TPSA/Å2: 79.7
Ertl TPSA/Å2:
Hydrophilicity (PubChem XLogP): 1.0
Hydrophilicity (Cheng XLogP3):
Charge: 0.0
Number of H-Bond Donors: 1.0
Number of H-Bond Acceptors: 5.0
Number of Stereogenic Bonds (E/Z): 0.0
Number of Stereogenic Atoms (R/S): 1.0
3D Volume/Å3: 259.5
Sum Formula: C20H16N2O4
M / g/mol: 348.4
Complexity: 742.0
Number of Conformers: 1.0

Identifiers

  • Tags: aromatic, typical guest
  • Name: Camptothecin
  • Preferred Abbreviation: Camptothecin
  • IUPAC Name: (19S)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione
  • CAS: 7689-03-4
  • CID: 24360
  • InChiKey: VSJKWCGYPAHWDS-FQEVSTJZSA-N
  • InChi: InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1
  • CanoSmiles: CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O
  • IsoSmiles: CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O