Pentamidine Diisethionate

Analyte Name

Pentamidine Diisetionate

CAS Number

140-64-7

Molecular Formula

C19 H24 N4 O2 . 2 C2 H6 O4 S

Molecular Weight

592.68

Accurate Mass

592.1873

SMILES

NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(=N)N)cc1.OCCS(=O)(=O)O.OCCS(=O)(=O)O

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)

IUPAC

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

Alternate CAS Number

Free salt: 100-33-4

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Pentamidine Diisetionate

Purity

>95% (HPLC)