chempirical

Camptothecin

C20H16N2O4CAS 7689-03-4348.36 g/mol

Open in Covalent MOL file
OHOONON
AlcoholEsterLactone

Properties

Molecular formula
C20H16N2O4
Molar mass
348.36 g/mol
Exact mass
348.1110 Da
Melting point
255–277 °C (decomposes)
logP
2.08Crippen estimate
Polar surface area
81.4 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
1
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
7689-03-4
SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

15 names · show all
  • 1H-Pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (4S)-
  • Camptothecine
  • 1H-Pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-, (S)-
  • (4S)-4-Ethyl-4-hydroxy-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
  • 20(S)-Camptothecine
  • d-Camptothecin
  • NSC 94600
  • (S)-Camptothecin
  • 20(S)-Camptothecin
  • (+)-Camptothecin
  • (+)-Camptothecine
  • MAG-CPT
  • Campathecin
  • (S)-(+)-Camptothecin
  • S-CKD 602

Work with Camptothecin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Hydroxycamptothecin19685-09-780 % similar 4-Ethyl-4,9-dihydroxy-1H-pyrano[3′,4′:6,7]indolizino[1,2-B]quinoline-3,14(4H,12H)-dione64439-81-280 % similar 9-Hydroxycamptothecin67656-30-876 % similar 9-Aminocamptothecin91421-43-175 % similar 9-Methoxycamptothecin39026-92-174 % similar 7-Ethylcamptothecin78287-27-172 % similar 9-Nitrocamptothecin91421-42-070 % similar Topotecan123948-87-866 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,4-Benzenedicarboxylic acid bis(4-aminophenyl) ester16926-73-1

Elsewhere

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