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Polyhexanide

Polyhexanide

Synopsis, Chemistry

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Also known as: Polyhexamethylene biguanide, 28757-47-3, Polyhexanide, 1-(diaminomethylidene)-2-hexylguanidine, Lavasept, Vantocil

Molecular Formula

C₈H₁₉N₅

Molecular Weight

185.27 g/mol

InChI Key

VAZJLPXFVQHDFB-UHFFFAOYSA-N

Polihexanide has been used in trials studying the treatment, prevention, and supportive care of Caries, Neoplasm, Skin Diseases, Nail Diseases, and Dental Plaque, among others.

1 2D Structure

Polyhexanide

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(diaminomethylidene)-2-hexylguanidine

2.1.2 InChI

InChI=1S/C8H19N5/c1-2-3-4-5-6-12-8(11)13-7(9)10/h2-6H2,1H3,(H6,9,10,11,12,13)

2.1.3 InChI Key

VAZJLPXFVQHDFB-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCN=C(N)N=C(N)N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Baquacil

2. Cosmocil

3. Lavasept

4. Phmb Polymer

5. Polihexanide Hydrochloride

6. Poly(hexamethylene Biguanide)

7. Poly(hexamethylenebiguanide) Hydrochloride

8. Poly(iminocarbonimidoyliminocarbonimidoylimino-1,6-hexanediyl) Hydrochloride

9. Polyhexamethylen-biguanide

10. Polyhexamethylenbiguanid

11. Polyhexamethylenbiguanide

12. Polyhexamethylene Biguanide

13. Polyhexamethylene Biguanide Hydrochloride

14. Polyhexanide

15. Vantocil

16. Vantocil Ib Of Vantocil

2.2.2 Depositor-Supplied Synonyms

1. Polyhexamethylene Biguanide

2. 28757-47-3

3. Polyhexanide

4. 1-(diaminomethylidene)-2-hexylguanidine

5. Lavasept

6. Vantocil

7. Polihexanide Hydrochloride

8. Purista

9. Microcare Mbg

10. Cosmocil Cq

11. N-hexylbiguanide

12. 1-hexylbiguanide

13. Schembl45011

14. Chembl2106939

15. Schembl20753163

16. Dtxsid40873856

17. N-hexylimidodicarbonimidic Diamide

18. Zinc4217340

19. Akos017531707

20. Ft-0700841

21. Q408205

22. 24717-31-5

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₉N₅
Molecular Weight	185.27 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	6
Exact Mass	185.16404563 g/mol
Monoisotopic Mass	185.16404563 g/mol
Topological Polar Surface Area	103 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	181
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	1

4 Drug and Medication Information

4.1 Drug Indication

Treatment of Acanthamoeba keratitis

5 Pharmacology and Biochemistry

5.1 MeSH Pharmacological Classification

Disinfectants

Substances used on inanimate objects that destroy harmful microorganisms or inhibit their activity. Disinfectants are classed as complete, destroying SPORES as well as vegetative forms of microorganisms, or incomplete, destroying only vegetative forms of the organisms. They are distinguished from ANTISEPTICS, which are local anti-infective agents used on humans and other animals. (From Hawley's Condensed Chemical Dictionary, 11th ed) (See all compounds classified as Disinfectants.)

5.2 ATC Code

D - Dermatologicals

D08 - Antiseptics and disinfectants

D08A - Antiseptics and disinfectants

D08AC - Biguanides and amidines

D08AC05 - Polihexanide