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)-

HCID 149876CAS 80758-83-4

Grundinformationen

Standard-SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2C=O
InChIKey
XKIDBQHJMYSFPX-NRFANRHFSA-N
Summenformel
C21H16N2O5
Durchschnittliche Molmasse
376,4 g/mol
Monoisotopische Masse
376,10592161

Namen und Bezeichner

Bevorzugter 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
Englischer Name
(S)-11-ForMy-4-ethyl-4-hydroxy-1,12-dihydro-4H-2-oxa-6,12a -diaza-dibenzo[b,h]fluorene-3,13-dione
Summenformel
C21H16N2O5
Molmasse
376.36214

Namen und Synonyme

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
Weitere Namen anzeigen
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

Datenbank-Bezeichner

CAS
80758-83-4
PubChem CID
149876
DTXSID
DTXSID20230600
ChEMBL
CHEMBL129349
Nikkaji
J436.715D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,4
Polarare Oberfläche (TPSA)
96,8 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
2
Schwere Atome
28

Chemie und Industrie

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