Basic information
- Standard SMILES
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)C3(O)CC- InChIKey
UWKQSNNFCGGAFS-UHFFFAOYSA-N- Molecular formula
- C33H38N4O6
- Average molar mass
- 586.7 g/mol
- Monoisotopic mass
- 586.27913494
Overview
LSM-4269 is a pyranoindolizinoquinoline.
Names & identifiers
- Preferred name
- 4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl (1,4'-bipiperidine)-1'-carboxylate
- IUPAC
- (10,19-diethyl-19-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-7-yl) 4-piperidin-1-ylpiperidine-1-carboxylate
Names & synonyms
DTXSID808611514,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinolin-9-yl (1,4'-bipiperidine)-1'-carboxylate4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl [1,4'-bipiperidine]-1'-carboxylateRefChem:1069207DTXCID70197118s1198(10,19-Diethyl-19-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-7-yl) 4-piperidin-1-ylpiperidine-1-carboxylate4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl 1,4'-bipiperidine-1'-carboxylateIrinotecan (CPT-11)CHEMBL10456SCHEMBL12313065SCHEMBL13420262
Show more names
CHEBI:93762HMS5086K10(S)-4,11-Diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3 inverted exclamation mark ,4 inverted exclamation mark :6,7]indolizino[1,2-b]quinolin-9-yl [1,4 inverted exclamation mark -bipiperidine]-1 inverted exclamation mark -carboxylateLSM-4269AKOS037483529NCGC00167833-01Q271654529H-Xanthene-3-carboxylic acid,7-ethoxy-9-oxo; 7-ethoxyxanthone-3-carboxylic acid;
Database identifiers
- PubChem CID
- 3750
- DTXSID
DTXSID80861151- ChEMBL
CHEMBL10456- ChEBI
CHEBI:93762- Nikkaji
- J360.577I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,200
Experimental & physicochemical properties
DrugsPharmaceuticals
Related reactions
0 records
No reaction records under the current filter.
Linked notes
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