(R)-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
Grundinformationen
- CAS
1255644-71-3- Standard-SMILES
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@@]3(O)CC- InChIKey
UWKQSNNFCGGAFS-MGBGTMOVSA-N- Summenformel
- C33H38N4O6
- Durchschnittliche Molmasse
- 586,7 g/mol
Überblick
(R)-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 is a pyranoindolizinoquinoline.
Namen und Bezeichner
- Bevorzugter Name
- (R)-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
- [(19R)-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
- Englischer Name
- Irinotecan Impurity 18
- Summenformel
- C33H38N4O6
- Molmasse
- 586.68
Namen und Synonyme
1255644-71-3Irinotecan EP Impurity L(R)-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[(19R)-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-carboxylateSCHEMBL19534323CHEBI:182872HMS3651A05SW220163-1BRD-K72035773-001-01-7(R)-IrinotecanIrinotecan Impurity 18(4R)-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
Weitere Namen anzeigen
[1,4'-Bipiperidine]-1'-carboxylic acid, (4R)-4,11-diethyl-3,4,12,14-tetrahydro-4-hydroxy-3,14-dioxo-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinolin-9-yl ester
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3
- Polarare Oberfläche (TPSA)
- 113 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 43
- Formalladung
- 0
- Komplexität
- 1.200
Physikochemische Eigenschaften
- Siedepunkt
- 873.4 · 873.4±65.0 °C(Predicted)
- Dichte
- 1.4 · 1.40±0.1 g/cm3(Predicted)
- pka
- 11.2 · 11.20±0.20(Predicted)
- InChIKey
- UWKQSNNFCGGAFS-MGBGTMOVSA-N
- SMILES
- N1(C2CCN(C(OC3=CC=C4C(=C3)C(CC)=C3CN5C(C3=N4)=CC3[C@@](CC)(O)C(=O)OCC=3C5=O)=O)CC2)CCCCC1
Chemie und Industrie
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