chempirical

7-Ethylcamptothecin

C22H20N2O4CAS 78287-27-1376.41 g/mol

Open in Covalent MOL file
NONOOOH
AlcoholEsterLactone

Properties

Molecular formula
C22H20N2O4
Molar mass
376.41 g/mol
Exact mass
376.1423 Da
Melting point
259–261 °C
logP
2.64Crippen estimate
Polar surface area
81.4 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
78287-27-1
SMILES
CCc1c2c(nc3ccccc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC
InChIKey
MYQKIWCVEPUPIL-QFIPXVFZSA-N
InChI
InChI=1S/C22H20N2O4/c1-3-12-13-7-5-6-8-17(13)23-19-14(12)10-24-18(19)9-16-15(20(24)25)11-28-21(26)22(16,27)4-2/h5-9,27H,3-4,10-11H2,1-2H3/t22-/m0/s1

Weigh it out

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

Names and synonyms

5 names
  • 1H-Pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4,11-diethyl-4-hydroxy-, (4S)-
  • 1H-Pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4,11-diethyl-4-hydroxy-, (S)-
  • (4S)-4,11-Diethyl-4-hydroxy-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
  • SN 22
  • 7-Ethyl-20(S)-camptothecin

Work with 7-Ethylcamptothecin

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

Sn-3886639-52-381 % similar Belotecan hydrochloride213819-48-874 % similar Camptothecin7689-03-472 % similar 9-Hydroxycamptothecin67656-30-871 % similar 9-Aminocamptothecin91421-43-170 % similar 9-Methoxycamptothecin39026-92-169 % similar 9-Nitrocamptothecin91421-42-065 % similar Irinotecan97682-44-564 % similar

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

Elsewhere

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