1,1-diphenyl-4-(piperidin-1-yl)butan-1-ol

• ChemBase编号: 1100
• 分子式: C21H27NO
• 平均质量: 309.44518
• 单一同位素质量: 309.20926449
• SMILES: OC(CCCN1CCCCC1)(c1ccccc1)c1ccccc1
• Canonical SMILES: OC(c1ccccc1)(c1ccccc1)CCCN1CCCCC1
• 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

名称和登记号

名称

• IUPAC标准名: 1,1-diphenyl-4-(piperidin-1-yl)butan-1-ol
• IUPAC传统名: diphenidol
• 商标名: Ansmin; Avomol; Celmidol; Cephadol; Cerrosa; Maniol; Nometic; Satanolon; Verterge; Vontrol; Yesdol
• 别名: Difenidol HCl; Difenidol; Difenidol hydrochloride; Difenidolo [DCIT]; Difenidolum [INN-Latin]; Diphenidol HCl; Diphenidol hydrochloride; Diphenidol

登记号

• CAS号: 972-02-1
• PubChem SID: 46506486; 160964563
• PubChem CID: 9175; 3055
• CHEBI ID: 4638
• CHEMBL: 936
• Chemspider ID: 2947
• DrugBank ID: DB01231
• KEGG ID: D03858
• 美国药典/FDA物质标识码: NQO8R319LY
• 维基百科标题: Diphenidol

理论计算性质

JChem

• Acid pKa: 13.398821
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 0.9203477
• LogD (pH = 7.4): 2.3909268
• Log P: 4.2215185
• 摩尔折射率: 96.9184 cm^3
• 极化性: 37.97322 Å^3
• 极化表面积: 23.47 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 4.08
• LOG S: -4.72
• 溶解度: 5.87e-03 g/l

分子性质

理化性质

• 疏水性(logP): 4.3

药理学性质

• 给药途径: Oral
• 半衰期: 4 hours

详细说明

DrugBank - DB01231

• Drug Groups: approved
• Description: Diphenidol is an antiemetic agent used in the treatment of vomiting and vertigo. Diphenidol overdose may result in serious toxicity in children.
• Indication: For use in the prevention and symptomatic treatment of peripheral (labyrinthine) vertigo and associated nausea and vomiting that occur in such conditions as Meniere's disease and surgery of the middle and inner ear. Also for the control of nausea and vomiting associated with postoperative states, malignant neoplasms, labyrinthine disturbances, antineoplastic agent therapy, radiation sickness, and infectious diseases.
• Pharmacology: Diphenidol is used for control of nausea and vomiting. It has an antivertigo effect on the vestibular apparatus, inhibiting the chemoreceptor trigger zone to control nausea and vomiting, thus preventing motion sickness.
• Toxicity: Symptoms of overdose include drowsiness (severe); shortness of breath or troubled breathing; unusual tiredness or weakness (severe).
• Affected Organisms: Humans and other mammals
• Absorption: Well absorbed from gastrointestinal tract following oral administration.
• Half Life: 4 hours
• References: [Link]
• External Links: Drugs.com

参考文献

• Link