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

CAS: 100286-90-6

Molecular Formula	`C33H39ClN4O6`
Molecular Weight	623.1 g/mol
Topological Polar Surface Area	113.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	622.2558
Heavy Atoms	44
Complexity	1200.0

Chemical Identifiers

CAS Number	100286-90-6
SMILES	`CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7.Cl`
InChIKey	`GURKHSYORGJETM-WAQYZQTGSA-N`

📖 Product Overview

Irinotecan hydrochloride (CAS: 100286-90-6) is a chemical compound with molecular formula C33H39ClN4O6 and molecular weight 623.1 g/mol. Its IUPAC systematic name is [(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. Topological Polar Surface Area 113.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 8 Rotatable Bonds 5 Exact Mass 622.2558 Heavy Atoms 44 Complexity 1200.0 InChI Key: GURKHSYORGJETM-WAQYZQTGSA-N. SMILES: CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7.Cl.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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