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2D Structure
Also known as: Propamidine isetionate, Propamidine diisethionate, 140-63-6, M&b 782, M + b 782, 7t9ij84c42
Molecular Formula
C21H32N4O10S2
Molecular Weight
564.6  g/mol
InChI Key
WSOSYBUSMXEYDO-UHFFFAOYSA-N
FDA UNII
7T9IJ84C42

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid
2.1.2 InChI
InChI=1S/C17H20N4O2.2C2H6O4S/c18-16(19)12-2-6-14(7-3-12)22-10-1-11-23-15-8-4-13(5-9-15)17(20)21;2*3-1-2-7(4,5)6/h2-9H,1,10-11H2,(H3,18,19)(H3,20,21);2*3H,1-2H2,(H,4,5,6)
2.1.3 InChI Key
WSOSYBUSMXEYDO-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC(=CC=C1C(=N)N)OCCCOC2=CC=C(C=C2)C(=N)N.C(CS(=O)(=O)O)O.C(CS(=O)(=O)O)O
2.2 Other Identifiers
2.2.1 UNII
7T9IJ84C42
2.3 Synonyms
2.3.1 MeSH Synonyms

1. Propamidine Diisethionate

2.3.2 Depositor-Supplied Synonyms

1. Propamidine Isetionate

2. Propamidine Diisethionate

3. 140-63-6

4. M&b 782

5. M + B 782

6. 7t9ij84c42

7. Ethanesulfonic Acid, 2-hydroxy-, Compd. With 4,4'-(trimethylenedioxy)dibenzamidine (2:1)

8. Propamidine Isthionate

9. 4-[3-(4-carbamimidoylphenoxy)propoxy]benzenecarboximidamide;2-hydroxyethanesulfonic Acid

10. Einecs 205-423-6

11. Unii-7t9ij84c42

12. Golden Eye Drops

13. Brolene Drops

14. Propamidine Diisetionate

15. Golden Eye Drops (tn)

16. Chebi:87175

17. Dtxsid50161211

18. Propamidine Isethionate [mi]

19. Propamidine Isetionate [mart.]

20. M&b-782

21. Propamidine Isetionate [who-dd]

22. Ethanesulfonic Acid, 2-hydroxy-, Compd. With 4,4'-(1,3-propanediylbis(oxy))bis(benzenecarboximidamide) (2:1)

23. D08436

24. Q27159426

25. 4,4'-(propane-1,3-diylbis(oxy))dibenzimidamide Bis(2-hydroxyethanesulfonate)

26. Benzamidine, 4,4'-(trimethylenedioxy)di-, Bis(2-hydroxyethanesulfonate)

27. [propane-1,3-diylbis(oxy-4,1-phenylene)]bis(iminomethanaminium) Bis(2-hydroxyethane-1-sulfonate)

28. 2-hydroxyethane-1-sulfonic Acid--4,4'-[propane-1,3-diylbis(oxy)]di(benzene-1-carboximidamide) (2/1)

2.4 Create Date
2005-08-08
3 Chemical and Physical Properties
Molecular Weight 564.6 g/mol
Molecular Formula C21H32N4O10S2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count12
Exact Mass564.15598558 g/mol
Monoisotopic Mass564.15598558 g/mol
Topological Polar Surface Area284 Ų
Heavy Atom Count37
Formal Charge0
Complexity467
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count3
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Antiprotozoal Agents

Substances that are destructive to protozoans. (See all compounds classified as Antiprotozoal Agents.)