API0232858

Pentamidine Isethionate

Pentagastrin is a diagnostic drug.

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CAS No.

140-64-7
Synonyms

PENTAMIDINE ISETHIONATE; 4,4'-(Pentane-1,5-diylbis(oxy))dibenzimidamide bis(2-hydroxyethanesulfonate); Pentamidine diisethionate
CHEMBL ID

CHEMBL361506
Compound CID

8813

Molecular Weight (g/mol)

592.7
Molecular Formula

C23H36N4O10S2
InChI

InChI=1S/C19H24N4O2.2C2H6O4S/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23;2*3-1-2-7(4,5)6/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);2*3H,1-2H2,(H,4,5,6)
InChIKey

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
IUPAC Name

4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid
Exact Mass (Da)

592.18728571
Monoisotopic Mass (Da)

592.18728571

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