9-Methoxycamptothecin

C21H18N2O5CAS 39026-92-1378.38 g/mol

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AlcoholEsterEtherLactone

Properties

Molecular formula
C21H18N2O5
Molar mass
378.38 g/mol
Exact mass
378.1216 Da
Melting point
223–225 °C
logP
2.09Crippen estimate
Polar surface area
90.7 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
39026-92-1
SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(OC)cccc3nc2-1
InChIKey
XVMZDZFTCKLZTF-NRFANRHFSA-N
InChI
InChI=1S/C21H18N2O5/c1-3-21(26)14-8-16-18-11(7-12-15(22-18)5-4-6-17(12)27-2)9-23(16)19(24)13(14)10-28-20(21)25/h4-8,26H,3,9-10H2,1-2H3/t21-/m0/s1

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Names and synonyms

5 names
  • 1H-Pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-10-methoxy-, (4S)-
  • 1H-Pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4-ethyl-4-hydroxy-10-methoxy-, (S)-
  • (4S)-4-Ethyl-4-hydroxy-10-methoxy-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
  • 9-Methoxycamptothecine
  • NSC 176323

Work with 9-Methoxycamptothecin

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

9-Aminocamptothecin91421-43-181 % similar 9-Hydroxycamptothecin67656-30-880 % similar Camptothecin7689-03-474 % similar 9-Nitrocamptothecin91421-42-074 % similar 7-Ethylcamptothecin78287-27-169 % similar Topotecan123948-87-867 % similar Hydroxycamptothecin19685-09-767 % similar 4-Ethyl-4,9-dihydroxy-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione64439-81-267 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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