Tibezonium iodide

Base Information

• Chemical Name: Tibezonium iodide
• CAS No.: 54663-47-7
• Molecular Formula: C28H32 N3 S2 . I
• Molecular Weight: 601.619
• European Community (EC) Number: 259-284-1
• NSC Number: 308905
• UNII: E9P274AJEW
• DSSTox Substance ID: DTXSID60905128
• Wikipedia: Tibezonium_iodide
• Wikidata: Q7800429
• NCI Thesaurus Code: C72650
• Metabolomics Workbench ID: 154488
• ChEMBL ID: CHEMBL2107065
• Mol file: 54663-47-7.mol

Synonyms:Tibezonium iodide;54663-47-7;Thiabenzazonium;Tibezonium iodide [INN];Tibenzonio ioduro;Tibezonii iodidum;Ioduro de tibezonio;Iodure de tibezonium;Tibezonium (iodide);Tibenzonio ioduro [DCIT];UNII-E9P274AJEW;NSC-308905;Thiabenzazonium iodide;E9P274AJEW;Tibezonii iodidum [INN-Latin];Iodure de tibezonium [INN-French];Ioduro de tibezonio [INN-Spanish];EINECS 259-284-1;NSC 308905;diethyl-methyl-[2-[[2-(4-phenylsulfanylphenyl)-3H-1,5-benzodiazepin-4-yl]sulfanyl]ethyl]azanium;iodide;REC-15/0691;Tibezonium iodide (INN);2-(beta-(N-Diethylamino)ethylthio)-4-(p-phenylthio)phenyl-3H-1,5-benzodiazepine methiodide;Diethylmethyl(2-((4-(p-(phenylthio)phenyl)-3H-1,5-benzodiazepin-2-yl)thio)ethyl)ammonium iodide;Diethylmethyl[2-[[4-[p-(phenylthio)phenyl]-3H-1,5-benzodiazepin-2-yl]thio]ethyl]ammonium iodide;NSC308905;Antoral;Ethanaminium, N,N-diethyl-N-methyl-2-((4-(4-(phenylthio)phenyl)-3H-1,5-benzodiazepin-2-yl)thio)-, iodide;Ethanaminium, N,N-diethyl-N-methyl-2-[[4-[4-(phenylthio)phenyl]-3H-1,5-benzodiazepin-2-yl]thio]-, iodide;SCHEMBL563722;TIBEZONIUM IODIDE [MI];CHEMBL2107065;C28H32IN3S2;DTXSID60905128;TIBEZONIUM IODIDE [MART.];TIBEZONIUM IODIDE [WHO-DD];BCP12853;C28-H32-N3-S2.I;AKOS025401688;DB13702;AC-24504;HY-131554;CS-0136629;D02712;Q7800429;diethylmethyl[2-[[4-[p-(phenylthio)-phenyl]-3H-1,5-benzodiazepin-2-yl]thio]ethyl]ammonium iodide;Ethanaminium,N-diethyl-N-methyl-2-[[4-[4-(phenylthio)phenyl]-3H-1,5-benzodiazepin-2-yl]thio]-, iodide;N,N-Diethyl-N-methyl-2-[[4-[4-(phenylthio)phenyl]-3H-1,5-benzodiazepin-2-yl]thio]ethanaminium iodide

Chemical Property of Tibezonium iodide

Chemical Property:

• Melting Point: 162℃
• PSA: 75.32000
• LogP: 3.48710
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 601.10824
• Heavy Atom Count: 34
• Complexity: 658

Purity/Quality:

98%,99%, ^*data from raw suppliers

TibezoniumIodide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC[N+](C)(CC)CCSC1=NC2=CC=CC=C2N=C(C1)C3=CC=C(C=C3)SC4=CC=CC=C4.[I-]
• Uses: Tibezonium Iodide is a possible inhibitor of Trypanosoma cruzi dihydrofolate reductase.
• Therapeutic Function: Antimicrobial

Technology Process of Tibezonium iodide

There total 1 articles about Tibezonium iodide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ tibezonium iodide (54663-47-7)

Guidance literature:

2-Dialkylaminoalkylthio-4,p-subst.Phenyl-3H-1,5-benzodiazepin (III), Methyljodid;

Refernces