Products 140-64-7

CAS 140-64-7 appears in our catalog under these names: Pentamidine isethionate salt, 95%, Pentamidine Diisethionate, >95% (HPLC), Pentamidine Diisetionate, Pentamidine isethionate/ 99.5% (existing batch purity), Pentamidine isethionate. Offered by: Combi-blocks, TRC, Mikromol, LoGiCal, TargetMol. Available pack sizes: 1g, 100mg, 5g, 250mg, 10mg, 200mg, 10mM (in 1ml dmso), 50mg.

Structural formula: {0} (CAS {1})

Pentamidine isethionate is an organosulfonate salt obtained by reaction of pentamidine with two equivalents of 2-hydroxyethylsulfonic acid. It has a role as a trypanocidal drug. It contains a pentamidinium(2+).

Source: ChEBI

Identity
Molecular formulaC23H36N4O10S2
Molecular weight592.7 g/mol
IUPAC name4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;bis(2-hydroxyethanesulfonic acid)
InChIKeyYBVNFKZSMZGRAD-UHFFFAOYSA-N
SMILESC1=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

Computed by PubChem (NCBI)