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Octenidine Hydrochloride

Octenidine Hydrochloride

Synopsis, Chemistry

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Also known as: 70775-75-6, Octenidine hcl, Sensidin do, Win 41464-2, Octenidine hydrochloride [usan], U84956nu4b

Molecular Formula

C₃₆H₆₄Cl₂N₄

Molecular Weight

623.8 g/mol

InChI Key

SMGTYJPMKXNQFY-UHFFFAOYSA-N

FDA UNII

U84956NU4B

1 2D Structure

Octenidine Hydrochloride

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-octyl-1-[10-(4-octyliminopyridin-1-yl)decyl]pyridin-4-imine;dihydrochloride

2.1.2 InChI

InChI=1S/C36H62N4.2ClH/c1-3-5-7-9-15-19-27-37-35-23-31-39(32-24-35)29-21-17-13-11-12-14-18-22-30-40-33-25-36(26-34-40)38-28-20-16-10-8-6-4-2;;/h23-26,31-34H,3-22,27-30H2,1-2H3;2*1H

2.1.3 InChI Key

SMGTYJPMKXNQFY-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCN=C1C=CN(C=C1)CCCCCCCCCCN2C=CC(=NCCCCCCCC)C=C2.Cl.Cl

2.2 Other Identifiers

2.2.1 UNII

U84956NU4B

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Las-189962

2. Las189962

3. N,n'-(1,10-decanediyldi-1-(4h)-pyridinyl-4-ylidene)bis-(1-octamine) Dihydrochloride

4. Octeniderm

5. Octenidine

6. Octenidine Dihydrochloride

7. Octenidine Disaccharin

8. Octenidine Hcl

9. Octenidine Saccharin

10. Octenidol

11. Win 41,464-6

12. Win 41464-2

13. Win-41464-2

14. Win-41464-6

2.3.2 Depositor-Supplied Synonyms

1. 70775-75-6

2. Octenidine Hcl

3. Sensidin Do

4. Win 41464-2

5. Octenidine Hydrochloride [usan]

6. U84956nu4b

7. Las189962

8. Las-189962

9. Win-41464-2

10. 1,1'-(decane-1,10-diyl)bis(n-octylpyridin-4(1h)-imine) Dihydrochloride

11. N-octyl-1-[10-(4-octyliminopyridin-1-yl)decyl]pyridin-4-imine;dihydrochloride

12. Octenidine Hydrochloride (usan)

13. 1,1'-decamethylenebis(1,4-dihydro-4-(octylimino)pyridine) Dihydrochloride

14. 1-octanamine, N,n'-(1,10-decanediyldi-1(4h)-pyridinyl-4-ylidene)bis-, Dihydrochloride

15. Chembl36342

16. Octenidine Hcl [inci]

17. Schembl126065

18. Unii-u84956nu4b

19. Hy-b2170a

20. Dtxsid90221025

21. Win-414642

22. Bcp22785

23. Einecs 274-861-8

24. Mfcd01938808

25. S5012

26. Ccg-270262

27. Cs-6224

28. Octenidine Dihydrochloride [mi]

29. Octenidine Hydrochloride [mart.]

30. Octenidine Hydrochloride [who-dd]

31. O0388

32. D05222

33. D86682

34. A847887

35. Q1409243

36. B2692-013330

37. N,n'-(1,10-decanediyldi-1(4h)-pyridinyl-4-ylidene)bis(1-octanamine) Dihydrochloride

2.4 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₃₆H₆₄Cl₂N₄
Molecular Weight	623.8 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	25
Exact Mass	622.4508034 g/mol
Monoisotopic Mass	622.4508034 g/mol
Topological Polar Surface Area	31.2 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	691
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.)

Anti-Infective Agents, Local

Substances used on humans and other animals that destroy harmful microorganisms or inhibit their activity. They are distinguished from DISINFECTANTS, which are used on inanimate objects. (See all compounds classified as Anti-Infective Agents, Local.)