Camptosar

HCID 60837CAS 136572-09-3

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

CamptosarIrinotecan hydrochloride hydrateCHEBI:90881RefChem:148744(4S)-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 monohydrochloride trihydrateIRINOTECAN HYDROCHLORIDE Trihydrate136572-09-3Irinotecan Hcl TrihydrateCPT-11 TrihydrateMFCD01765731Irinotecan (hydrochloride trihydrate)(+)-7-Ethyl-10-hydroxycamptothecine 10-(1,4'-bipiperidine)-1'-carboxylate, monohydrochloride, trihydrate
Weitere Namen anzeigen
IRINOTECAN HYDROCHLORIDE [ORANGE BOOK](S)-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 hydrochloride trihydrate[(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;hydrochlorideIrinotecan HCI TrihydrateUNII-042LAQ1IISCamptosar (TN)[1,4'-Bipiperidine]-1'-carboxylic acid (4S)-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 monohydrochloride trihydrate; Irinotecan hydrochloride hydrate; Irinotecan hydrochloride trihydrateOnivyde (TN)

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

Experimentelle und physikochemische Eigenschaften

Human Drugs · 2 Einträge

Breast Feeding; Lactation; Milk, Human; Antineoplastic Agents; Enzyme Inhibitors; Topoisomerase I Inhibitors

EMA approved medicines: Human medicine (Orphan designations)

Sicherheit und Regulatorisches

Toxikologische Informationen

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological ClassificationCompounds that inhibit the activity of DNA TOPOISOMERASE I.

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