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Chemistry

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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

Hexamidine
1 2D Structure

Hexamidine

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 Weight 606.7 g/mol
Molecular Formula C24H38N4O10S2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count12
Rotatable Bond Count15
Exact Mass606.20293577 g/mol
Monoisotopic Mass606.20293577 g/mol
Topological Polar Surface Area284 Ų
Heavy Atom Count40
Formal Charge0
Complexity505
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

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.)


API Reference Price

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01-Feb-2021
04-Mar-2024
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