基本情報
- CAS
7181-73-9- 標準SMILES
C[N+](C)(CCOc1ccccc1)Cc1ccccc1- InChIKey
AVWWVJUMXRXPNF-UHFFFAOYSA-N- 分子式
- C17H22NO+
- 平均分子量
- 256.36 g/mol
- 単同位体質量
- 256.17013933
概要
Bephenium is an aromatic amine.
名称と識別子
- 優先名称
- Bephenium
- IUPAC
- benzyl-dimethyl-(2-phenoxyethyl)azanium
- 現地名
- N,N-ジメチル-N-(2-フェノキシエチル)ベンゼンメタンアミニウム
- 英語名
- benzyldimethyl(2-phenoxyethyl)ammonium
- 分子式
- C17H22NO+
- 分子量
- 256.36268
名称と別名
BEPHENIUMBephenumBenzyldimethyl(2-phenoxyethyl)ammoniumHSDB 3207Ammonium, benzyldimethyl(2-phenoxyethyl)-EINECS 230-546-7UNII-PXO9B4983IBRN 4143098PXO9B4983IBenzenemethanaminium, N,N-dimethyl-N-(2-phenoxyethyl)-BEPHENIUM [HSDB]N,N-Dimethyl-N-(2-phenoxyethyl)-benzenemethanaminium
名称をさらに表示
ベフェニウムN,N-ジメチル-N-(2-フェノキシエチル)ベンジルアミニウムN,N-ジメチル-N-(2-フェノキシエチル)ベンゼンメタンアミニウムベンジルジメチル(2-フェノキシエチル)アザニウムN,N-Dimethyl-N-(2-phenoxyethyl)benzenemethanaminiumBenzenemethanaminium,N,N-dimethyl-N-(2-phenoxyethyl)-
DTXSID3022661benzyldimethyl(2-phenoxyethyl)azaniumRefChem:119025DTXCID6026617181-73-9benzyl-dimethyl-(2-phenoxyethyl)azaniumbephenium-hydroxynaphthoateOprea1_022605
データベース識別子
- CAS
7181-73-9- PubChem CID
- 19667
物性
構造計算による物性
- XLogP
- 3.4
- 極性表面積
- 9.2 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 1
- 回転可能結合数
- 6
- 重原子数
- 19
- 形式電荷
- 1
- 複雑度
- 240
実験および物理化学的性質
Melting Point
MP: 170-171 °C /HYDROXYNAPHTHOATE/
MP: 144-146 °C /PAMOATE SALT/
MP: 135-136 °C /CHLORIDE SALT/
MP: 144.5-146 °C /BROMIDE SALT/
MP: 146-147 °C /IODIDE SALT/
Stability/Shelf LifeSTABLE IN LIGHT & IN AIR /HYDROXYNAPHTHOATE SALT/
Collision Cross Section162.3 Ų [M]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Other Experimental Properties
ODORLESS; BITTER TASTE /HYDROXYNAPHTHOATE SALT/
CRYSTALS /HYDROXYNAPHTHOATE SALT/
PALE YELLOW SOLID FROM WATER /PAMOATE DIHYDRATE/
CRYSTALS FROM ACETONE /CHLORIDE SALT/
For more Other Experimental Properties (Complete) data for BEPHENIUM (7 total), please visit the HSDB record page.
物理化学的性質
- 貯蔵温度
- -20 °C · Store at -20°C
- 溶解性
- Soluble in DMSO
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
毒性情報
Human Toxicity ExcerptsBECAUSE OF ITS BITTER TASTE, DRUG MAY PROVOKE NAUSEA & VOMITING... OCCASIONALLY IT MAY CAUSE MILD & TEMPORARY LOOSENESS OF STOOL. /HYDROXYNAPHTHOATE SALT; ORAL ADMIN/
Non-Human Toxicity ExcerptsSALIVATION, VOMITING & DIARRHEA HAVE BEEN NOTED IN DOG.../GIVEN BEPHENIUM/
安全データ
- 有毒物質データの
- 7181-73-9(Hazardous Substances Data)
化学と産業
薬理情報
ATC CodeP - Antiparasitic products, insecticides and repellents
Absorption, Distribution and Excretion
AFTER ORAL ADMIN OF THERAPEUTIC DOSE OF BEPHENIUM HYDROXYNAPHTHOATE NOT MORE THAN 0.5% IS EXCRETED IN URINE WITHIN 24 HR. /HYDROXYNAPHTHOATE/
NOT ORDINARILY ABSORBED FROM GI TRACT, BUT IF INTESTINES ARE INFLAMED, SOME DRUG MAY BE ABSORBED...EXCRETED IN URINE. /HUMAN, ORAL/
用途と製造
Uses
MEDICATION (VET)
MEDICATION
Methods of Manufacturing
COPP, US PATENT 2,918,401 (1959 TO BURROUGHS WELLCOME); COPP GERMAN PATENT 1,117,600 (1961 TO WELLCOME FOUNDATION), CA 56, 14165I (1962). /BEPHENIUM SALTS/
1-CHLORO-2-PHENOXYETHANE IS CAUSED TO CONDENSE WITH DIMETHYLAMINE & RESULTING DIMETHYL(2-PHENOXYETHYL)AMINE IS QUATERNIZED WITH BENZYL CHLORIDE. METATHESIS WITH AQ SOLN OF SODIUM 3-HYDROXY-2-NAPHTHOATE YIELDS DESIRED COMPD. US PATENT 2,918,401. /HYDROXYNAPHTHOATE SALT/
Formulations/PreparationsBEPHENIUM HYDROXYNAPHTHOATE, USP (ALCOPARA), IS AVAILABLE IN OFFICIAL SINGLE-DOSE SACHETS OF 5 G, CONTAINING EQUIVALENT OF 2.5 G OF BEPHENIUM BASE.
上流・下流製品情報
上流原料
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