Piroxantrone

10-(3-aminopropylimino)-6,8-dihydroxy-14-[2-(2-hydroxyethylamino)ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,4,6,8,11,13(16)-hexaen-3-one

CAS: 91441-23-5

Molecular Formula	`C21H25N5O4`
Molecular Weight	411.5 g/mol
LogP	-1.1
Topological Polar Surface Area	143.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	9
Rotatable Bonds	8
Exact Mass	411.19064
Heavy Atoms	30
Complexity	997.0

Chemical Identifiers

CAS Number	91441-23-5
SMILES	`C1=CC(=NCCCN)C2=C(C3=C(C=CC(=O)C3=C4C2=C1N(N4)CCNCCO)O)O`
InChIKey	`UKNVCOILWOLTLJ-UHFFFAOYSA-N`

📖 Product Overview

Piroxantrone (CAS: 91441-23-5) is a chemical compound with molecular formula C21H25N5O4 and molecular weight 411.5 g/mol. Its IUPAC systematic name is 10-(3-aminopropylimino)-6,8-dihydroxy-14-[2-(2-hydroxyethylamino)ethyl]-14,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,4,6,8,11,13(16)-hexaen-3-one. LogP -1.1 Topological Polar Surface Area 143.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 9 Rotatable Bonds 8 Exact Mass 411.19064 Heavy Atoms 30 Complexity 997.0 InChI Key: UKNVCOILWOLTLJ-UHFFFAOYSA-N. SMILES: C1=CC(=NCCCN)C2=C(C3=C(C=CC(=O)C3=C4C2=C1N(N4)CCNCCO)O)O.

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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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