Pentamidine isethionate

CAS Registry Number®

140-64-7
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CAS Name

Pentamidine isethionate

Molecular Formula

C19H24N4O2.2C2H6O4S

Cite this Page

Pentamidine isethionate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=140-64-7 (retrieved 2021-07-29) (CAS RN: 140-64-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    180 °C

Source(s)

  • (1) Drugs - Synonyms and Properties data were obtained from Ashgate Publishing Co. (US)

Other Names and Identifiers

InChI

InChI=1S/C19H24N4O2.C2H6O4S/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;3-1-2-7(4,5)6/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23);3H,1-2H2,(H,4,5,6)

InChIKey

InChIKey=NYRHYBFMOOPIRI-UHFFFAOYSA-N

SMILES

C(=N)(N)C1=CC=C(OCCCCCOC2=CC=C(C(=N)N)C=C2)C=C1.C(S(=O)(=O)O)CO

Canonical SMILES

O=S(=O)(O)CCO.N=C(N)C1=CC=C(OCCCCCOC2=CC=C(C=C2)C(=N)N)C=C1

Other Names for this Substance

  • Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4′-[1,5-pentanediylbis(oxy)]bis[benzenecarboximidamide] (2:1)
  • Ethanesulfonic acid, 2-hydroxy-, compd. with 4,4′-(pentamethylenedioxy)dibenzamidine (2:1)
  • Benzamidine, 4,4′-(pentamethylenedioxy)di-, diisethionate
  • Benzenecarboximidamide, 4,4′-[1,5-pentanediylbis(oxy)]bis-, bis(2-hydroxyethanesulfonate)
  • RP 2512