3,10-Diethyl-3-hydroxy-13-oxo-1,3,11,13-tetrahydrofuro[3',4':6,7]indolizino[1,2-b]quinolin-8-yl [1,4'-bipiperidine]-1'-carboxylate
Grundinformationen
- CAS
143490-54-4- Standard-SMILES
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC3(O)CC- InChIKey
HJJHCRZQVMWZSJ-UHFFFAOYSA-N- Summenformel
- C32H38N4O5
- Durchschnittliche Molmasse
- 558,7 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 3,10-Diethyl-3-hydroxy-13-oxo-1,3,11,13-tetrahydrofuro[3',4':6,7]indolizino[1,2-b]quinolin-8-yl [1,4'-bipiperidine]-1'-carboxylate
- IUPAC
- (5,13-diethyl-5-hydroxy-9-oxo-6-oxa-10,20-diazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),12,14(19),15,17-heptaen-16-yl) 4-piperidin-1-ylpiperidine-1-carboxylate
- Englischer Name
- Irinotecan Furan ring impurity
- Summenformel
- C32H38N4O5
- Molmasse
- 558.67
Namen und Synonyme
143490-54-4(5,13-Diethyl-5-hydroxy-9-oxo-6-oxa-10,20-diazapentacyclo[10.8.0.02,10.04,8.014,19]icosa-1(20),2,4(8),12,14(19),15,17-heptaen-16-yl) 4-piperidin-1-ylpiperidine-1-carboxylate3,10-Diethyl-3-hydroxy-13-oxo-1,3,11,13-tetrahydrofuro[3',4':6,7]indolizino[1,2-b]quinolin-8-yl [1,4'-bipiperidine]-1'-carboxylateIrinotecan Impurity 42SCHEMBL12356493CS-01640923,10-Diethyl-11,13-dihydro-3-hydroxy-13-oxo-1H,3H-furo[3',4':6,7]indolizino[1,2-b]quinolin-8-yl Ester [1,4'-Bipiperidine]-1'-carboxylic Acid3,10-diethyl-3-hydroxy-13-oxo-1,3,11,13-tetrahydrofuro[3',4':6,7]indolizino[1,2-b]quinolin-8-yl [1,4'-bipiperidine]-1'-carboxylate? (Irinotecan Impurity pound(c)3,10-Diethyl-3-hydroxy-13-oxo-1,3,11,13-tetrahydrofuro[3',4':6,7]indolizino[1,2-b]quinolin-8-yl[1,4'-bipiperidine]-1'-carboxylateIrinotecan Impurity 373,10-diethyl-3-hydroxy-13Irinotecan Furan ring impurity
Weitere Namen anzeigen
Irinotecan Descarbonyl Impurity[1,4'-Bipiperidine]-1'-carboxylic acid, 3,10-diethyl-11,13-dihydro-3-hydroxy-13-oxo-1H,3H-furo[3',4':6,7]indolizino[1,2-b]quinolin-8-yl ester
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,8
- Polarare Oberfläche (TPSA)
- 95,4 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 41
- Formalladung
- 0
- Komplexität
- 1.110
Physikochemische Eigenschaften
- Siedepunkt
- 825.3 · 825.3±65.0 °C(Predicted)
- Dichte
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- 11.26 · 11.26±0.20(Predicted)
Chemie und Industrie
Anwendungen
VerwendenIrinotecan Descarbonyl Impurity is used for the photodegradation of Irinotecan (CPT-11) in aqueous solutions towards the identification of fluorescent products. It is also prepared as an antitumor agent.
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