Basic information
- CAS
80758-83-4- Standard SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=O- InChIKey
XKIDBQHJMYSFPX-NRFANRHFSA-N- Molecular formula
- C21H16N2O5
- Average molar mass
- 376.4 g/mol
- Monoisotopic mass
- 376.10592161
Names & identifiers
- Preferred name
- 1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-11-carboxaldehyde, 4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-, (S)-
- IUPAC
- (19S)-19-ethyl-19-hydroxy-14,18-dioxo-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-10-carbaldehyde
- English name
- (S)-11-ForMy-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a -diaza-dibenzo[b,h]fluorene-3,13-dione
- Molecular formula
- C21H16N2O5
- Molecular weight
- 376.36214
Names & synonyms
80758-83-4(S)-11-Formyl-4-ethyl-4-hydroxy-1,12-dihydro-4h-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dione(19S)-19-Ethyl-19-hydroxy-14,18-dioxo-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-10-carbaldehyde1H-Pyrano(3',4':6,7)indolizino(1,2-b)quinoline-11-carboxaldehyde, 4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-, (S)-7-formylcamptothecin(S)-11-Formy-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a-diaza-dibenzo[b,h]fluorene-3,13-dioneIrinotecan Impurity 9SCHEMBL399147CHEMBL129349SCHEMBL31142446DTXSID20230600XKIDBQHJMYSFPX-NRFANRHFSA-N
Show more names
Irinotecan Impurity 45(S)-11-ForMy-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a -diaza-dibenzo[b,h]fluorene-3,13-dione(S)-4-ethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-11-carbaldehyde1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-11-carboxaldehyde, 4-ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-, (4S)-
MFCD19441970(S)-4-Ethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-11-carboxaldehydeBS-44344G11325(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0(2),(1)(1).0,.0(1),(2)]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-10-carbaldehyde(19S)-19-ethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.0,.0,.0,henicosa-1(21),2,4,6,8,10,15(20)-heptaene-10-carbaldehyde(4S)-4-Ethyl-4-hydroxy-3,14-dioxo-3,4,12,14-tetrahydro-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-11-carbaldehyde
Database identifiers
- CAS
80758-83-4- PubChem CID
- 149876
- DTXSID
DTXSID20230600- ChEMBL
CHEMBL129349- Nikkaji
- J436.715D
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 818
Chemistry & industry
Suppliers5 total
济南百隆化学有限公司[email protected] · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
苏州施亚生物科技有限公司17715136450 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
3 records
Compound notes
Loading…