PENTAMIDINE ISETHIONATE

4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;bis(2-hydroxyethanesulfonic acid)

CAS: 140-64-7

Molecular Formula	`C23H36N4O10S2`
Molecular Weight	592.7 g/mol
Topological Polar Surface Area	284.0 A2
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	12
Rotatable Bonds	14
Exact Mass	592.18726
Heavy Atoms	39
Complexity	493.0

Chemical Identifiers

CAS Number	140-64-7
SMILES	`C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O`
InChIKey	`YBVNFKZSMZGRAD-UHFFFAOYSA-N`

📖 Product Overview

PENTAMIDINE ISETHIONATE (CAS: 140-64-7) is a chemical compound with molecular formula C23H36N4O10S2 and molecular weight 592.7 g/mol. Its IUPAC systematic name is 4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;bis(2-hydroxyethanesulfonic acid). Topological Polar Surface Area 284.0 A2 Hydrogen Bond Donors 8 Hydrogen Bond Acceptors 12 Rotatable Bonds 14 Exact Mass 592.18726 Heavy Atoms 39 Complexity 493.0 InChI Key: YBVNFKZSMZGRAD-UHFFFAOYSA-N. SMILES: C1=CC(=CC=C1C(=N)N)OCCCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)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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