Gimatecan
(19S)-19-ethyl-19-hydroxy-10-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-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
Molecular Identity
Gimatecan
(19S)-19-ethyl-19-hydroxy-10-[(E)-(2-methylpropan-2-yl)oxyiminomethyl]-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
PubChem CID: 9577124
2D Structure
Properties
C25H25N3O5
Molecular Formula
447.50
Molecular Weight
g/mol
447.1794
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
101
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
948
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Gimatecan292618-32-7ST1481LBQ7077-t-ButoxyiminomethylcamptothecinST 14817KKS9R192FDTXSID0057702(4S)-11-((E)-((1,1-DImethylethoxy)imino)methyl)-4-ethyl-4-hydroxy-1,12-dihydro-14H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4H)-dioneDTXCID8031491gimatecanumRefChem:639936STI481(19S)-10-((1E)-((tert-butoxy)imino)methyl)-19-ethyl-19-hydroxy-17-oxa-3,13-diazapentacyclo(11.8.0.02,11.0?,?.01?,2?)henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione7-t-butoxyiminomethyl-camptothecin
Data from PubChem (NCBI)
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Drug Network
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