irinotecan

[(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

CAS: 97682-44-5

Molecular Formula	`C33H38N4O6`
Molecular Weight	586.7 g/mol
LogP	3.0
Topological Polar Surface Area	113.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	586.2791
Heavy Atoms	43
Complexity	1200.0

Chemical Identifiers

CAS Number	97682-44-5
SMILES	`CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7`
InChIKey	`UWKQSNNFCGGAFS-XIFFEERXSA-N`

📖 Product Overview

irinotecan (CAS: 97682-44-5) is a chemical compound with molecular formula C33H38N4O6 and molecular weight 586.7 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. LogP 3.0 Topological Polar Surface Area 113.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 8 Rotatable Bonds 5 Exact Mass 586.2791 Heavy Atoms 43 Complexity 1200.0 InChI Key: UWKQSNNFCGGAFS-XIFFEERXSA-N. SMILES: CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)C4(CC)O)C2=NC5=C1C=C(C=C5)OC(=O)N6CCC(CC6)N7CCCCC7.

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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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