HCID74990

Irinotecan Hydrochloride

[(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;hydrochloride

C33H39ClN4O6623.1 g/molCAS 100286-90-6

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IDENTITY

结构与身份

标准SMILES: CCc1c2c(nc3ccc(OC(=O)N4CCC(N5CCCCC5)CC4)cc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC.Cl
InChIKey: GURKHSYORGJETM-WAQYZQTGSA-N
分子式: C33H39ClN4O6
平均分子量: 623.1 g/mol
单同位素质量: 622.2558127

COMPUTED

结构计算性质

已同步

极性表面积: 113 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 5
重原子: 44
形式电荷: 0
复杂度: 1,200

GHS

GHS分类

来源：PubChem

GHS Classification

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Acute Tox. 4 (100%)

TOXICITY

毒理信息

来源：PubChem

Drug Induced Liver Injury

Drug Induced Liver Injury Rank (DILIrank 2.0)

Irinotecan hydrochloride

vLess-DILI-concern

Adverse reactions

DOI:10.1016/j.drudis.2016.02.015

PHARMACOLOGY

药理信息

来源：PubChem

FDA Pharmacological Classification

IRINOTECAN HYDROCHLOIDE

Topoisomerase Inhibitor [EPC]; Topoisomerase Inhibitors [MoA]

IRINOTECAN HYDROCHLORIDE

Topoisomerase Inhibitor [EPC]; Topoisomerase Inhibitors [MoA]

MeSH Pharmacological Classification

Compounds that inhibit the activity of DNA TOPOISOMERASE I.

USES

用途与制造

来源：PubChem

Uses

Use (kg; approx.) in Germany (2009): >25；Use (kg) in USA (2002): 24；Consumption (g per capita; approx.) in Germany (2009): 0.000305；Consumption (g per capita) in the USA (2002): 8.51e-05；Calculated removal (%): 13.3

ALIASES

名称与别名

共 95 条

Irinotecan hydrochloride100286-90-6CPT 11CamptoCPT-11Camptothecin 11 hydrochlorideDTXSID6045953U 101440EIrinotecan hydrochloride anhydrous06X131E4OE7-Ethyl-10-(4-(1-piperidino)-1-piperidino)carbonyloxy camptothecin hydrochlorideCHEBI:5971DTXCID4025953irinotecan hydrochloride (anhydrous)NSC-759878DQ-2805U-101440ECPT11IrinomedacIrinotecan hydrochloide

REACTIONS

参与反应

1 条

uspto-grants-2009_02 · 10.6084/m9.figshare.5104873.v1 · US07488825B2

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