10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
Basic information
- Standard SMILES
CCC1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(CN(C)C)c(O)ccc3nc2-1- InChIKey
UCFGDBYHRUNTLO-UHFFFAOYSA-N- Molecular formula
- C23H23N3O5
- Average molar mass
- 421.4 g/mol
- Monoisotopic mass
- 421.16377084
Overview
LSM-4296 is a pyranoindolizinoquinoline.
Names & identifiers
- Preferred name
- 10-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione
- IUPAC
- 8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-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)-heptaene-14,18-dione
Names & synonyms
8-[(dimethylamino)methyl]-19-ethyl-7,19-dihydroxy-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)-heptaene-14,18-dioneNeuro_00023610-[(Dimethylamino)methyl]-4-ethyl-4,9-dihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dioneSCHEMBL5531617SCHEMBL30712226SCHEMBL31517322Topotecan (SKF 104864A)CHEBI:93785hycamptamine hydrochloride hydrateDTXSID60861255UCFGDBYHRUNTLO-UHFFFAOYSA-NHMS5086K19
Show more names
LSM-4296URB90410XWC98573s9321AKOS015894855DB-015058BRD-A59985574-003-01-9Q27165487
Database identifiers
- PubChem CID
- 5515
- DTXSID
DTXSID60861255- ChEBI
CHEBI:93785
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 867
Experimental & physicochemical properties
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Compound notes
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