Propamidine Isetionate

Synopsis, Chemistry

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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

Propamidine Isetionate

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 Formula	C₂₁H₃₂N₄O₁₀S₂
Molecular Weight	564.6 g/mol
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	12
Exact Mass	564.15598558 g/mol
Monoisotopic Mass	564.15598558 g/mol
Topological Polar Surface Area	284 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	467
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3