Chemistry:Alexidine

Alexidine
Names
	Preferred IUPAC name N1,N1′-(Hexane-1,6-diyl)bis[N3-(2-ethylhexyl)imidodicarbonic diamide]
Identifiers
CAS Number	22573-93-9 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:CHEBI:53661;
ChEMBL	ChEMBL1195210;
ChemSpider	2006;
EC Number	245-096-7;
KEGG	D02804;
PubChem CID	2090;
UNII	GVN71CAL3G ;
	InChI InChI=1S/C26H56N10/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36) Key: LFVVNPBBFUSSHL-UHFFFAOYSA-N; InChI=1/C26H56N10/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36) Key: LFVVNPBBFUSSHL-UHFFFAOYAY;
	SMILES CCCCC(C/N=C(/N=C(\NCCCCCCN/C(=N\C(=N\CC(CCCC)CC)\N)/N)/N)\N)CC;
Properties
Chemical formula	C26H56N10
Molar mass	508.804 g·mol−1
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
	Infobox references

Alexidine is an antimicrobial of the biguanide class.^[1] More specifically, it is a bisbiguanide.^[2]

References

↑ Barrios, Rocío; Ferrer-Luque, Carmen María; Arias-Moliz, María Teresa; Ruiz-Linares, Matilde; Bravo, Manuel; Baca, Pilar (November 2013). "Antimicrobial substantivity of alexidine and chlorhexidine in dentin". J Endod 39 (11): 1413–5. doi:10.1016/j.joen.2013.07.038. PMID 24139264.
↑ "Structural requirements of guanide, biguanide, and bisbiguanide agents for antiplaque activity". Antimicrob. Agents Chemother. 12 (6): 721–9. 1977. doi:10.1128/aac.12.6.721. PMID 931371.

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Names

Preferred IUPAC name N¹,N^1′-(Hexane-1,6-diyl)bis[N³-(2-ethylhexyl)imidodicarbonic diamide]
Identifiers
CAS Number	22573-93-9^Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:CHEBI:53661
ChEMBL	ChEMBL1195210
ChemSpider	2006
EC Number	245-096-7
KEGG	D02804
PubChem CID	2090
UNII	GVN71CAL3G^Y
InChI InChI=1S/C26H56N10/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36) Key: LFVVNPBBFUSSHL-UHFFFAOYSA-N InChI=1/C26H56N10/c1-5-9-15-21(7-3)19-33-25(29)35-23(27)31-17-13-11-12-14-18-32-24(28)36-26(30)34-20-22(8-4)16-10-6-2/h21-22H,5-20H2,1-4H3,(H5,27,29,31,33,35)(H5,28,30,32,34,36) Key: LFVVNPBBFUSSHL-UHFFFAOYAY
SMILES CCCCC(C/N=C(/N=C(\NCCCCCCN/C(=N\C(=N\CC(CCCC)CC)\N)/N)/N)\N)CC
Properties
Chemical formula	C₂₆H₅₆N₁₀
Molar mass	508.804 g·mol⁻¹
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references