chempirical

Sn-38

C22H20N2O5CAS 86639-52-3392.41 g/mol

Open in Covalent MOL file
NHOONOOOH
AlcoholEsterLactonePhenol

Properties

Molecular formula
C22H20N2O5
Molar mass
392.41 g/mol
Exact mass
392.1372 Da
logP
2.35Crippen estimate
Polar surface area
101.7 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
86639-52-3
SMILES
CCc1c2c(nc3ccc(O)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC
InChIKey
FJHBVJOVLFPMQE-QFIPXVFZSA-N
InChI
InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • 1H-Pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4,11-diethyl-4,9-dihydroxy-, (4S)-
  • 1H-Pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 4,11-diethyl-4,9-dihydroxy-, (S)-
  • (4S)-4,11-Diethyl-4,9-dihydroxy-1H-pyrano[3′,4′:6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
  • 7-Ethyl-10-hydroxycamptothecin
  • SN 38 (pharmaceutical)
  • SN 38
  • 10-Hydroxy-7-ethylcamptothecin
  • 7-Ethyl-10-hydroxy-20(S)-camptothecin
  • SN 38 lactone
  • (S)-SN 38
  • (19S)-10,19-Diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.0[2,11].0[4,9].0[15,20]]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione

Work with Sn-38

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

7-Ethylcamptothecin78287-27-181 % similar Hydroxycamptothecin19685-09-774 % similar 4-Ethyl-4,9-dihydroxy-1H-pyrano[3′,4′:6,7]indolizino[1,2-B]quinoline-3,14(4H,12H)-dione64439-81-274 % similar Topotecan123948-87-867 % similar 9-Hydroxycamptothecin67656-30-866 % similar Irinotecan97682-44-565 % similar Topotecan hydrochloride119413-54-665 % similar Irinotecan hydrochloride100286-90-663 % similar

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

Elsewhere

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