HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Buphenin
buphenine · Buphenin · Nylidrin · Nylidrine · DILATAL(NYLIDRIN · Nylidrin USP/EP/BP · 4-(1-Hydroxy-2-((4-phenylbutan-2-yl)amino)propyl)phenol · 1-(4-hydroxyphenyl)-2-(1-methyl-3-phenylpropylamino)propan-1-ol
Identifikatoren & physikalische Daten
| CAS No. | 447-41-6 |
|---|---|
| Summenformel | C19H25NO2 |
| Durchschnittliche Molmasse | 299,4 g/mol |
| Monoisotopische Masse | 299,18852904 g/mol |
| SMILES | CC(CCc1ccccc1)NC(C)C(O)c1ccc(O)cc1 |
| InChIKey | PTGXAUBQBSGPKF-UHFFFAOYSA-N |
| PubChem CID | 4567 |
| ChEMBL | CHEMBL114655 |
| ChEBI | CHEBI:91656 |
| EC No. | 207-182-2 |
| DTXSID | DTXSID4023387 |
| Lokaler Name | Buphenin |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,5 |
| H-Brücken-Donoren | 3 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 22 |
| Formalladung | 0 |
| Komplexität | 296 |
| pH | BETWEEN 4.5 & 6.5 (1% SOLN) |
| Geruch | ODORLESS |
| Geschmack | TASTELESS |
| Color/Form | Crystals from methanol |
| Löslichkeit | Mol wt 335.88. Crystals. Sparingly sol in waterslightly sol in alcohol. Practically insol in ether, chloroform, benzene /Hydrochloride/DMF: 30 mg/ml,DMSO: 30 mg/ml,DMSO:PBS (pH 7.2) (1:7): 0.12 mg/ml |
| Human Drugs | Pharmaceuticals |
| Schmelzpunkt | 111 °C111-112° |
| Collision Cross Section | 171.8 Ų [M+K]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Other Experimental Properties | WHITE CRYSTALLINE POWDER /HYDROCHLORIDE/White crystals or powder, odorlesstasteless. pH of 1% solution is between 4.5 and 6.5 /Hydrochloride/ |
| Siedepunkt | 476.0±40.0 °C(Predicted) |
| Dichte | 1.101±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C |
| Aggregatzustand | A crystalline solid |
| pKa (Säurekonstante) | 9.96±0.26(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Lagerbedingungen | Store below 40 °C (104 deg. F), preferably between 15 and 30 °C (59 and 86 °F), unless otherwise specified by manufacturer. Store in a tight container. |
| Entsorgungsverfahren | SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices. |
| Wechselwirkungen | EFFECTS OF ANTIHISTAMINES WITH PHENOTHIAZINE STRUCTURE ARE ENHANCED BY NYLIDRIN BY DISPLACEMENT OF PHENOTHIAZINE FROM RECEPTOR SITES & TISSUES & BY CEREBRAL VASODILATOR EFFECT OF NYLIDRIN. ALTHOUGH CLINICAL DOCUMENTATION IS LACKING, PHENOTHIAZINE ACTIVITY MAY BE ENHANCED BY CONCURRENT USE OF NYLIDRIN.PRETREATMENT OF RATS WITH NYLIDRIN PROTECTED AGAINST ACUTE TOXICITY OF SODIUM CYANIDE. |
| Human Toxicity Excerpts | /OTHER TOXICITY INFORMATION/ Vasodilation of skeletal arteries and arterioles via beta-adrenergic receptor stimulation and possibly also a direct effect./OTHER TOXICITY INFORMATION/ Systolic pressure usually rises slightly and diastolic pressure fallsmean arterial pressure changes little. Cerebral blood flow may incr slightly./OTHER TOXICITY INFORMATION/ Actions ... follow pattern of beta-receptor stimulation but vasodilatation is resistant to doses of propranolol that block vasodilatation due to isoproterenol. Blood flow in muscle incr and peripheral resistance falls. Heart rate and cardiac output incr. |
| Antidote and Emergency Treatment | /SRP:/ Basic treatment: Establish a patent airway (oropharyngeal or nasopharyngeal airway, if needed). Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with 0.9% saline (NS) during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poisons A and B/ |
Anwendungen & Verwendung
Verwenden
Buphenin (Nylidrin), is shown to be an effective inhibitor of IgE-mediated release of histamine from human basophils, and thus can be used as antiallergic agent. It is also one of the FDA approved drug as Inhibitors of the Human Sodium Taurocholate Cotransporting Polypeptide (NTCP).