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 ;
CompTox Dashboard (EPA)	DTXSID60905128 ;
ECHA InfoCard	100.053.876
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 ;
	(what is this?) (verify)

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 edit

^ Scolari G (September 1979). "[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. PMID 298008.

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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
CompTox Dashboard (EPA)	DTXSID60905128
ECHA InfoCard	100.053.876
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)