Introduction：Basic information about Difenidol hydrochloride CAS 3254-89-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Difenidol hydrochloride Basic information
| Product Name: | Difenidol hydrochloride |
| Synonyms: | DIFENIDOL HYDROCHLORIDE;DIPHENIDOL;DIPHENIDOL HYDROCHLORIDE;LABOTEST-BB LT00771934;1,1-DIPHENYL-4-PIPERIDINO-1-BUTANOL HYDROCHLORIDE;1,1-diphenyl-4-(1-piperidyl)butan-1-ol hydrochloride;1-(4-HYDROXY-4,4-DIPHENYLBUTYL)PIPERIDINE HYDROCHLORIDE;alpha,alpha-diphenyl-1-piperidinebutanohydrochloride |
| CAS: | 3254-89-5 |
| MF: | C21H27NO |
| MW: | 309.45 |
| EINECS: | 221-850-0 |
| Product Categories: | |
| Mol File: | 3254-89-5.mol |
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Difenidol hydrochloride Chemical Properties
| Melting point | 212-214° |
| storage temp. | 2-8°C |
| solubility | DMSO (Slightly, Sonicated), Methanol (Slightly) |
| form | Solid |
| color | White to Off-White |
| PH | pH (10g/l, 25℃) : 4.7～6.5 |
| Water Solubility | H2O: 2mg/mL, clear (warmed) |
| Merck | 14,3311 |
| InChI | InChI=1S/C21H27NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1-2,4-7,11-14,23H,3,8-10,15-18H2 |
| InChIKey | OGAKLTJNUQRZJU-UHFFFAOYSA-N |
| SMILES | C(O)(CCCN1CCCCC1)(C1=CC=CC=C1)C1C=CC=CC=1 |
| CAS DataBase Reference | 3254-89-5(CAS DataBase Reference) |
Safety Information
| Hazard Codes | Xn |
| Risk Statements | 20/21/22 |
| Safety Statements | 36 |
| WGK Germany | 3 |
| RTECS | TM4970500 |
| HS Code | 2933.39.9200 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Acute Tox. 4 Oral |
| Toxicity | LD50 oral in rat: 515mg/kg |
Difenidol hydrochloride Usage And Synthesis
| Chemical Properties | White Solid |
| Uses | Diphenidol is an muscarinic antagonist is an antivertigo agent. Diphenidol displays heart arrhythmia inhibition and parasympatholytic activity. |
| Definition | ChEBI: Difenidol hydrochloride is a diarylmethane. |
| Brand name | Vontrol (GlaxoSmithKline). |
| Biological Activity | Diphenidol is a non-selective muscarinic acetylcholine receptor antagonist. Diphenidol is an antiemetic agent used in the treatment of vomiting and vertigo. |
| Synthesis | Difenidol hydrochloride is synthesized in three steps. S1: Preparation of 1-(3-chloropropyl)hexahydropyridine: 1,3-Bromochloropropane reacts with hexahydropyridine at room temperature. Liquid base is then added. After layering, the oily layer is collected and dried to give the intermediate. S2: Preparation of ??,??-diphenyl-1-piperidinobutanol: After initiation with magnesium, a THF solution of intermediate N-(3-chloropropyl)piperidine is added dropwise, followed by a THF solution of benzophenone. After holding, the mixture is poured into ice-cold ammonium chloride solution for hydrolysis. Filtration and drying yield the product. S3: Preparation of ??,??-diphenyl-1-piperidinobutanol hydrochloride: The product from step 2 is dissolved in acetone. After decolorization, hydrochloric acid is added dropwise to form the salt. Gradient cooling induces crystallization. Filtration and drying give the final product. |
Difenidol hydrochloride Preparation Products And Raw materials
| Raw materials | Piperidine-->Bromoethane-->Benzophenone-->1-Bromo-3-chloropropane |
| Preparation Products | Terfenadine |
