Camptosar

HCID 60837CAS 136572-09-3

基本情報

標準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
分子式
C33H45ClN4O9
平均分子量
677.2 g/mol
単同位体質量
676.2875067

概要

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).

名称と識別子

優先名称
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

名称と別名

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
名称をさらに表示
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)

データベース識別子

CAS
136572-09-3
PubChem CID
60837
DTXSID
DTXSID60929485
ChEMBL
CHEMBL1200512
ChEBI
CHEBI:90881
UNII
042LAQ1IIS

物性

構造計算による物性

極性表面積
116 Ų
水素結合供与体数
5
水素結合受容体数
11
回転可能結合数
5
重原子数
47

実験および物理化学的性質

Human Drugs · 2 件

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

EMA approved medicines: Human medicine (Orphan designations)

安全と法規制

毒性情報

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

化学と産業

薬理情報

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

関連反応

6 件

関連ノート

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