5-Hydroxy Topotecan Dihydrochloride (Mixture of Diastereomers)
Grundinformationen
- CAS
504413-73-4- Standard-SMILES
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)C(O)c2cc3c(CN(C)C)c(O)ccc3nc2-1- InChIKey
IKBVYIZOTSVDNQ-AKRCKQFNSA-N- Summenformel
- C23H23N3O6
- Durchschnittliche Molmasse
- 437,4 g/mol
Namen und Bezeichner
- Bevorzugter Name
- 5-Hydroxy Topotecan Dihydrochloride (Mixture of Diastereomers)
- IUPAC
- (19S)-8-[(dimethylamino)methyl]-19-ethyl-7,12,19-trihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione
- Englischer Name
- 5-Hydroxy Topotecan Dihydrochloride Salt (Mixture of DiastereoMers)
- Summenformel
- C23H23N3O6
- Molmasse
- 437.45
Namen und Synonyme
504413-73-45-Hydroxy Topotecan Dihydrochloride (Mixture of Diastereomers)1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 10-[(dimethylamino)methyl]-4-ethyl-4,9,12-trihydroxy-, (4S)-; (4S)-10-[(Dimethylamino)methyl]-4-ethyl-4,9,12-trihydroxy-1H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione; 10-Hydroxy-9-[(dimethylamino)methyl]-5-hydroxy-(20S,5RS)-camptothecin(19S)-8-[(Dimethylamino)methyl]-19-ethyl-7,12,19-trihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(20)-heptaene-14,18-dione(4S)-10-((Dimethylamino)methyl)-4-ethyl-4,9,12-trihydroxy-1,12-dihydro-14H-pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H)-dioneIKBVYIZOTSVDNQ-AKRCKQFNSA-NTopotecan 5-Hydroxy Impurity5-Hydroxy Topotecan Dihydrochloride Salt5-Hydroxy Topotecan Dihydrochloride Salt (Mixture of DiastereoMers)1H-Pyrano[3',4':6,7]indolizino[1,2-b]quinoline-3,14(4H,12H)-dione, 10-[(dimethylamino)methyl]-4-ethyl-4,9,12-trihydroxy-, (4S)-
Datenbank-Bezeichner
- CAS
504413-73-4
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,1
- Polarare Oberfläche (TPSA)
- 123 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 8
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 32
- Formalladung
- 0
- Komplexität
- 900
Physikochemische Eigenschaften
- Siedepunkt
- 849.3 · 849.3±65.0 °C(Predicted)
- Dichte
- 1.56 · 1.56±0.1 g/cm3(Predicted)
- pka
- 11.19 · 11.19±0.40(Predicted)
Chemie und Industrie
Anwendungen
VerwendenDihydrochloride Salt of 5-Hydroxy Topotecan, is the metabolite of Topotecan (T542500), which is a DNA topoisomerase I inhibitor, semi synthetic analog of Camptothecin, and an antineoplastic.
Anbieter
Wird geladen…
Öffentliche Anfragen
Wird geladen…
Zugehörige Reaktionen
0
Keine Reaktionsaufzeichnungen unter den aktuellen Filterkriterien.
Notizen zur Verbindung
Wird geladen…