023XA5Z50L

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Also known as: 659-40-5, Desomedine, Hexamidine isethionate, Hexomedine, Ophtamedine, Esomedina

Molecular Formula

C₂₄H₃₈N₄O₁₀S₂

Molecular Weight

606.7 g/mol

InChI Key

NBVZMBLJRHUOJR-UHFFFAOYSA-N

FDA UNII

023XA5Z50L

1 2D Structure

023XA5Z50L

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide;2-hydroxyethanesulfonic acid

2.1.2 InChI

InChI=1S/C20H26N4O2.2C2H6O4S/c21-19(22)15-5-9-17(10-6-15)25-13-3-1-2-4-14-26-18-11-7-16(8-12-18)20(23)24;2*3-1-2-7(4,5)6/h5-12H,1-4,13-14H2,(H3,21,22)(H3,23,24);2*3H,1-2H2,(H,4,5,6)

2.1.3 InChI Key

NBVZMBLJRHUOJR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C(=N)N)OCCCCCCOC2=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

023XA5Z50L

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 1,6-di(para-amidinophenoxy)hexane

2. 1,6-di-(4-amidinophenoxy)hexane

3. Dsomdine

4. Hexamidine

5. Hexamidine Dihydrochloride

6. Hexamidine Isethionate

7. Hexaseptine

8. Hexomdine

9. Hexomedin

10. Hexomedin N

11. Hexomedine

12. Laryngomedin N

13. Ophtamedine

2.3.2 Depositor-Supplied Synonyms

1. 659-40-5

2. Desomedine

3. Hexamidine Isethionate

4. Hexomedine

5. Ophtamedine

6. Esomedina

7. Hexamidine Diisetionate

8. 023xa5z50l

9. 4-[6-(4-carbamimidoylphenoxy)hexoxy]benzenecarboximidamide;2-hydroxyethanesulfonic Acid

10. 2-hydroxyethanesulphonic Acid, Compound With 4,4'-[hexane-1,6-diylbis(oxy)]bis[benzenecarboxamidine] (2:1)

11. 2535 Rp

12. Rp 2535

13. 2535 R. P.

14. Desmedine

15. 4,4'-(hexane-1,6-diylbis(oxy))dibenzimidamide Bis(2-hydroxyethanesulfonate)

16. Nsc-115848

17. Hexomedin

18. Unii-023xa5z50l

19. Hexamidin 2-hydroxyethansulfonat

20. 2-hydroxyethanesulphonic Acid, Compound With 4,4'-(hexane-1,6-diylbis(oxy))bis(benzenecarboxamidine) (2:1)

21. Einecs 211-533-5

22. Hexamidine Isetionate

23. Nsc 115848

24. 2-hydroxyethanesulphonic Acid, Compound With 4,4'-[hexane-1,6-diylbis(oxy)]bis[benzenecarboxamidine] (2

25. Schembl15940090

26. Amy7835

27. Hexamidine Isethionate [mi]

28. Hexamidine Isetionate [mart.]

29. 4-[6-(4-carbamimidoylphenoxy)hexoxy]benzamidine; 2-hydroxyethanesulfonic Acid

30. Akos015896206

31. Hexamidine Isetionate [who-dd]

32. Hexamidine Diisethionate [inci]

33. Rf-2535

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

35. As-83166

36. Ft-0627027

37. Hexamidine Diisetionate [ep Impurity]

38. Hexamidine Diisetionate [ep Monograph]

39. 659h405

40. A835285

41. Q27231489

42. 4,4'-(hexamethylenedioxy)dibenzamidine Isethionate

43. 4,4'-(hexane-1,6-diylbis(oxy))dibenzimidamidebis(2-hydroxyethanesulfonate)

44. 4,4'-(hexamethylenedioxy)dibenzamidine Bis(2-hydroxyethanesulphonate)

45. Ethanesulfonic Acid, 2-hydroxy-, Compd. With 4,4'-(1,6-hexanediylbis(oxy))bis(benzenecarboximidamide) (2:1)

2.4 Create Date

2005-08-09

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₃₈N₄O₁₀S₂
Molecular Weight	606.7 g/mol
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	15
Exact Mass	606.20293577 g/mol
Monoisotopic Mass	606.20293577 g/mol
Topological Polar Surface Area	284 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	505
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

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Anti-Infective Agents

Substances that prevent infectious agents or organisms from spreading or kill infectious agents in order to prevent the spread of infection. (See all compounds classified as Anti-Infective Agents.)