Chemistry:Tibezonium iodide

Tibezonium iodide
Clinical data
AHFS/Drugs.com	International Drug Names
Routes of; administration	Topical (mouth)
ATC code	A01AB15 (WHO) ;
Identifiers
	IUPAC name N,N-diethyl-N-methyl-2-(2-[4-(phenylthio)phenyl]-1H-benzo[b][1,4]diazepin-4-ylthio)ethanaminium iodide;
CAS Number	54663-47-7 ;
PubChem CID	6918582;
ChemSpider	5293779 ;
UNII	E9P274AJEW;
KEGG	D02712 ;
Chemical and physical data
Formula	C28H32IN3S2
Molar mass	601.61 g·mol−1
3D model (JSmol)	Interactive image;
	SMILES [I-].N=3c4c(\N=C(\c2ccc(Sc1ccccc1)cc2)CC=3SCC[N+](CC)(CC)C)cccc4;
	InChI InChI=1S/C28H32N3S2.HI/c1-4-31(3,5-2)19-20-32-28-21-27(29-25-13-9-10-14-26(25)30-28)22-15-17-24(18-16-22)33-23-11-7-6-8-12-23;/h6-18H,4-5,19-21H2,1-3H3;1H/q+1;/p-1 ; Key:YTSPICCNZMNDQT-UHFFFAOYSA-M ;
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Short description: Chemical compound

Tibezonium iodide (or tibenzonium iodide) is an antiseptic for use in the mouth.^[1] It is a salt consisting of a lipophilic quaternary ammonium cation and iodide as the counterion.

References

↑ "[Use of a mouthwash with a base of tibezonium iodide in gingival inflammation and in the inhibition and dissolution of dental plaque]". Rivista Italiana di Stomatologia 48 (9): 29–37. September 1979. PMID 298008.

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v t e Stomatological preparations (A01)
Caries prophylaxis	Dectaflur Olaflur Sodium fluoride Sodium monofluorophosphate Stannous fluoride
Infection and antiseptics	Amphotericin B Benzoxonium chloride Chlorhexidine Chlortetracycline Clotrimazole Cetylpyridinium chloride Domiphen bromide Doxycycline Eugenol Hexetidine Hydrogen peroxide Mepartricin Metronidazole Miconazole Minocycline Natamycin Neomycin Oxyquinoline Polynoxylin Sodium perborate Tetracycline Tibezonium iodide
Corticosteroids (Glucocorticoids)	Dexamethasone Hydrocortisone Triamcinolone
Other	Amlexanox Acetylsalicylic acid Becaplermin Benzydamine Epinephrine/Adrenalone

Clinical data

AHFS/Drugs.com	International Drug Names
Routes of administration	Topical (mouth)
ATC code	A01AB15 (WHO)
Identifiers
IUPAC name N,N-diethyl-N-methyl-2-(2-[4-(phenylthio)phenyl]-1H-benzo[b][1,4]diazepin-4-ylthio)ethanaminium iodide
CAS Number	54663-47-7^Y
PubChem CID	6918582
ChemSpider	5293779^Y
UNII	E9P274AJEW
KEGG	D02712^Y
Chemical and physical data
Formula	C₂₈H₃₂IN₃S₂
Molar mass	601.61 g·mol⁻¹
3D model (JSmol)	Interactive image
SMILES [I-].N=3c4c(\N=C(\c2ccc(Sc1ccccc1)cc2)CC=3SCC[N+](CC)(CC)C)cccc4
InChI InChI=1S/C28H32N3S2.HI/c1-4-31(3,5-2)19-20-32-28-21-27(29-25-13-9-10-14-26(25)30-28)22-15-17-24(18-16-22)33-23-11-7-6-8-12-23;/h6-18H,4-5,19-21H2,1-3H3;1H/q+1;/p-1^Y Key:YTSPICCNZMNDQT-UHFFFAOYSA-M^Y
^NY (what is this?) (verify)