Introduction：Basic information about CAS 54663-47-7|Tibezonium iodide, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Tibezonium iodide |
|---|
| CAS Number | 54663-47-7 | Molecular Weight | 601.60800 |
|---|
| Density | / | Boiling Point | / |
|---|
| Molecular Formula | C28H32IN3S2 | Melting Point | 162ºC |
|---|
| MSDS | / | Flash Point | / |
|---|
Names
| Name | Diethylmethyl[2-[[4-[p-(phenylthio)phenyl]-3H-1,5-benzodiazepin-2-yl]thio]ethyl]ammonium iodide |
|---|
| Synonym | More Synonyms |
|---|
Tibezonium iodide BiologicalActivity
| Description | Tibezonium iodide, an oropharyngeal disinfectant, has antibacterial activity for the prevention of mouth infections[1]. |
|---|
| Related Catalog | Research Areas >>InfectionSignaling Pathways >>Anti-infection >>Bacterial |
|---|
| In Vitro | Tibezonium iodide (5-10 μg/mL; 15-30 min) displays good bacteriostatic and bactericidal activity against gram-positive strain, especially against S. aureus and S. pyogens humanus with the minimum inhibitory concerntration (MIC) values ≤1 μg/mL)[3]. Tibezonium iodide (0.25-5 μg/mL; 30 min) displays increasing bactericidal activity against S. aureus and S. pyogens 821 while pH value going up from 6.5-7.0 to 8.0-8.5[3]. |
|---|
| References | [1]. M Veronese, et al. Mutagenicity studies on tibezonium, a new oropharyngeal disinfectant. Arzneimittelforschung. 1983;33(3):369-72. [2]. M Calzavara, et al. [Clinico-experimental study of a new antibactorial agent for local use in stomatology]. Minerva Stomatol. Apr-Jun 1976;25(2):55-66. [3]. Veronese M, et al. Antimicrobial activity of tibezonium (TBZ). Chemotherapy. 1977. 23(2):90-7. |
|---|
Chemical & Physical Properties
| Melting Point | 162ºC |
|---|
| Molecular Formula | C28H32IN3S2 |
|---|
| Molecular Weight | 601.60800 |
|---|
| Exact Mass | 601.10800 |
|---|
| PSA | 75.32000 |
|---|
| LogP | 3.48710 |
|---|
| InChIKey | YTSPICCNZMNDQT-UHFFFAOYSA-M |
|---|
| SMILES | CC[N+](C)(CC)CCSC1=Nc2ccccc2N=C(c2ccc(Sc3ccccc3)cc2)C1.[I-] |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- KH2770000
- CHEMICAL NAME :
- Ethanaminium, N,N-diethyl-N-methyl-2-((4-(4-(phenylthio)phenyl)- 3H-1,5-benzodiazepin-2-yl) thio)-, iodide
- CAS REGISTRY NUMBER :
- 54663-47-7
- LAST UPDATED :
- 199206
- DATA ITEMS CITED :
- 4
- MOLECULAR FORMULA :
- C28-H32-N3-S2.I
- MOLECULAR WEIGHT :
- 601.65
- WISWESSER LINE NOTATION :
- T67 GN KN IHJ HS2K2&2&2 JR DSR &I
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- >10 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EXPEAM Experientia. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1945- Volume(issue)/page/year: 31,440,1975
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 35 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- DRFUD4 Drugs of the Future. (J.R. Prous, S.A., Apartado de Correos 540, 08080 Barcelona, Spain) V.1- 1975/76- Volume(issue)/page/year: 3,152,1978
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 9 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EXPEAM Experientia. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1945- Volume(issue)/page/year: 31,440,1975
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 42 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- EXPEAM Experientia. (Birkhaeuser Verlag, POB 133, CH-4010 Basel, Switzerland) V.1- 1945- Volume(issue)/page/year: 31,440,1975
|
Synonyms
| tibezonium iodide |
| tibenzonium iodide |
| Antoral |
| Ethanaminium,N,N-diethyl-N-methyl-2-[[4-[4-(phenylthio)phenyl]-3H-1,5-benzodiazepin-2-yl]thio]-,iodide |
| Tibezonium |
| N,N-Diethyl-N-methyl-2-[[4-[4-(phenylthio)phenyl]-3H-1,5-benzodiazepin-2-yl]thio]ethanaminium iodide |
| Rec 15-0691 |
| Thiabenzazonium |
| 2-(Methyl-diaethylammonium-aethylthio)-4-(p-phenyl-thio-phenyl)-3H-1,5-benzodiazepin-jodid |
| Tibezonium-jodid |
