Lipotecan
[(19S)-8-[(dimethylamino)methyl]-19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] 2-[(2,4,5,7-tetranitrofluoren-9-ylidene)amino]oxypropanoate
Molecular Identity
Lipotecan
[(19S)-8-[(dimethylamino)methyl]-19-ethyl-7-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-19-yl] 2-[(2,4,5,7-tetranitrofluoren-9-ylidene)amino]oxypropanoate
PubChem CID: 46871946
2D Structure
Properties
C39H30N8O15
Molecular Formula
850.70
Molecular Weight
g/mol
850.1831
Exact Mass
Da
4.2
XLogP
Drug-like (Lipinski: < 5)
314
TPSA
May have limited oral absorption
1
H-Bond Donors
18
H-Bond Acceptors
1970
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(18)
LipotecanLipothecan free baseTLC-3881432468-79-5D47234N30Ntlc388TLC 388Propanoic acid, 2-(((2,4,5,7-tetranitro-9H-fluoren-9-ylidene)amino)oxy)-, (4S)-10-((dimethylamino)methyl)-4-ethyl-3,4,12,14-tetrahydro-9-hydroxy-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-4-yl esterRefChem:190210Camptothecin Analogue TLC388UNII-D47234N30Norb1699123SCHEMBL4547372CHEMBL4594352SCHEMBL29422909
Data from PubChem (NCBI)
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