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
名称をさらに表示
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
- 形式電荷
- 0
- 複雑度
- 1,200
実験および物理化学的性質
Human Drugs
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
化学と産業
薬理情報
関連反応
関連ノート
読み込み中…