Molecular Identity
Pentamidine Isethionate
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;bis(2-hydroxyethanesulfonic acid)
PubChem CID: 8813
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+).
2D Structure
Properties
C23H36N4O10S2
Molecular Formula
592.70
Molecular Weight
g/mol
592.1873
Exact Mass
Da
284
TPSA
May have limited oral absorption
8
H-Bond Donors
12
H-Bond Acceptors
493
Complexity
SMILES
Canonical SMILES
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)OIsomeric SMILES
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)OSynonyms(20)
PENTAMIDINE ISETHIONATE140-64-7Pentamidine diisethionate4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate)Pentamidine isetionatePentacarinatNebupentPentamidine diisetionateDiamidineLomidinPneumopentLomidine isoethionatePENTAMUSAF XR-10DTXSID5023796
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Pentamidine Isethionate
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