Camptosar

HCID 60837CAS 136572-09-3

기본 정보

표준 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
분자식
C33H45ClN4O9
평균 분자량
677.2 g/mol
단동위원소 질량
676.2875067

개요

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).

이름 및 식별자

우선 이름
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

이름 및 동의어

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
이름 더 보기
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)

데이터베이스 식별자

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

물성

구조 계산 물성

극성 표면적
116 Ų
수소 결합 공여자 수
5
수소 결합 수용자 수
11
회전 가능 결합 수
5
무거운 원자 수
47

실험 및 물리화학적 성질

Human Drugs · 2건

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

EMA approved medicines: Human medicine (Orphan designations)

안전 및 규제

독성 정보

Effects During Pregnancy and Lactation◉ Summary of Use during Lactation

화학 및 산업

약리 정보

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

관련 반응

6건

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