Grundinformationen
- Standard-SMILES
CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.Cl.O.O.O- InChIKey
KLEAIHJJLUAXIQ-JDRGBKBRSA-N- Summenformel
- C33H45ClN4O9
- Durchschnittliche Molmasse
- 677,2 g/mol
- Monoisotopische Masse
- 676,2875067
Überblick
Irinotecan hydrochloride hydrate is a hydrate that is the trihydrate form of irinotecan hydrochloride. Onivyde is used in combination with fluorouracil and leucovorin, for the treatment of patients with metastatic adenocarcinoma of the pancreas after disease progression following gemcitabine-based therapy. It is converted via hydrolysis of the carbamate linkage to its active metabolite, SN-38, which is ~1000 times more active. It has a role as an antineoplastic agent, a prodrug, an EC 5.99.1.2 (DNA topoisomerase) inhibitor and an apoptosis inducer. It contains an irinotecan hydrochloride (anhydrous).
Namen und Bezeichner
- Bevorzugter Name
- Camptosar
- IUPAC
- [(19S)-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;trihydrate;hydrochloride
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
136572-09-3- PubChem CID
- 60837
- DTXSID
DTXSID60929485- ChEMBL
CHEMBL1200512- ChEBI
CHEBI:90881- UNII
- 042LAQ1IIS
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 116 Ų
- H-Brücken-Donoren
- 5
- H-Brücken-Akzeptoren
- 11
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 47
- Formalladung
- 0
- Komplexität
- 1.200
Experimentelle und physikochemische Eigenschaften
Human Drugs
Breast Feeding; Lactation; Milk, Human; Antineoplastic Agents; Enzyme Inhibitors; Topoisomerase I Inhibitors
EMA approved medicines: Human medicine (Orphan designations)
Sicherheit und Regulatorisches
Toxikologische Informationen
Chemie und Industrie
Pharmakologische Informationen
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