Tioconazole

Base Information

• Chemical Name: Tioconazole
• CAS No.: 65899-73-2
• Deprecated CAS: 144025-07-0
• Molecular Formula: C16H13Cl3N2OS
• Molecular Weight: 387.717
• Hs Code.: 2934990002
• European Community (EC) Number: 265-973-8
• NSC Number: 759169
• UNII: S57Y5X1117
• DSSTox Substance ID: DTXSID3046619
• Nikkaji Number: J3.525D
• Wikipedia: Tioconazole
• Wikidata: Q260326
• NCI Thesaurus Code: C29500
• RXCUI: 38298
• Pharos Ligand ID: H2HNYUJ5FMRD
• Metabolomics Workbench ID: 43253
• ChEMBL ID: CHEMBL1200438
• Mol file: 65899-73-2.mol

Synonyms:Gyno-Trosyd;Monistat 1-Day;Mykontral;tioconazole;Trosderm;Trosid;Trosyd;Trosyl;UK 20,349;Vagistat;Vagistat-1

Chemical Property of Tioconazole

Chemical Property:

• Vapor Pressure: 5.82E-11mmHg at 25°C
• Refractive Index: 1.654
• Boiling Point: 534.5 °C at 760 mmHg
• PKA: 6.66±0.12(Predicted)
• Flash Point: 277 °C
• PSA: 55.29000
• Density: 1.44 g/cm³
• LogP: 5.86290
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• Solubility.: Very slightly soluble in water, very soluble in methylene chloride, freely soluble in alcohol.
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 385.981417
• Heavy Atom Count: 23
• Complexity: 379

Purity/Quality:

99% ^*data from raw suppliers

Tioconazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)OCC3=C(SC=C3)Cl
• Description: Tioconazole is an antifungal agent, closely related to miconazole. Tioconazole is effective in the topical treatment of superficial fungal infections and appears to be more potent than miconazole against Candida and Trichophyton species.
• Uses: antithrombotic Tioconazole is an antifungal that is more active than Fluconazole (F421000) or Voriconazole (V760000) against Candida glabrata mutant strains. Antifungal (topical). Potent inhibitor of cytochrome-P450
• Therapeutic Function: Antifungal
• Clinical Use: 1-[2-[(2-chloro-3-thienyl)methoxy]2-(2,4-dichlorophenyl)-ethyl]-1H-imidazole (Vagistat) is used for the treatment ofvulvovaginal candidiasis. A vaginal ointment containing6.5% of the free base is available. Tioconazole is more effectiveagainst Torulopsis glabrata than are other azoles.

Technology Process of Tioconazole

There total 1 articles about Tioconazole 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:

→ tioconazole (65899-73-2)

Guidance literature:

Reference yield: 85.0%

tioconazole (65899-73-2) → C16H12(2)HCl3N2OS

Guidance literature:

With potassium carbonate; silver carbonate; johnphos; In dimethyl sulfoxide; at 25 ℃; for 12h;

DOI:10.1021/acs.orglett.9b02369

Reference yield: 82.0%

[RhCl2(p-cymene)]2 + tioconazole (65899-73-2) → [(η6-p-cymene)RuCl(tioconazole)2]Cl (1581279-27-7)

Guidance literature:

In methanol; chloroform; for 5h; Reflux;

DOI:10.1021/om401096y

Downstream raw materials:

[(η⁶-p-cymene)RuCl₂(tioconazole)]

[(η⁶-p-cymene)RuCl(tioconazole)₂]Cl

Refernces