N,N-diethyl-4-methylpiperazine-1-carboxamide

• ChemBase编号: 592
• 分子式: C10H21N3O
• 平均质量: 199.29324
• 单一同位素质量: 199.16846231
• SMILES: O=C(N1CCN(CC1)C)N(CC)CC
• Canonical SMILES: CCN(C(=O)N1CCN(CC1)C)CC
• InChI: InChI=1S/C10H21N3O/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13/h4-9H2,1-3H3
• InChIKey: RCKMWOKWVGPNJF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N,N-diethyl-4-methylpiperazine-1-carboxamide
• IUPAC传统名: diethylcarbamazine
• 商标名: Banocide; Bitirazine; Caracide; Caricide; Cypip; Hetrazan; Notezine; Spatonin; Decacide
• 别名: Diethyl carbamazine; Ethodryl; Ditrazine base; Carbamazine; Carbilazine; Diethylcarbamazine; N,N-diethyl-4-methylpiperazine-1-carboxamide

登记号

• CAS号: 90-89-1
• MDL号: MFCD00023288
• PubChem SID: 160964055; 46506830
• PubChem CID: 3052
• ATC码: QP52AH02; P02CB02
• CHEMBL: 684
• Chemspider ID: 2944
• DrugBank ID: DB00711
• KEGG ID: D07825
• 美国药典/FDA物质标识码: V867Q8X3ZD
• 维基百科标题: Diethylcarbamazine

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -1.3199005
• LogD (pH = 7.4): -0.027173506
• Log P: 0.09160589
• 摩尔折射率: 58.2767 cm^3
• 极化性: 22.291203 Å^3
• 极化表面积: 26.79 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

ALOGPS 2.1

• Log P: 0.9
• LOG S: 0.07
• 溶解度: 2.36e+02 g/l

分子性质

理化性质

• 溶解度: 63.7 mg/mL at 25 oC [MEYLAN,WM et al. (1996)]
• 疏水性(logP): 0.1; 1.616

药理学性质

• 半衰期: .
• 法定药品分级: Legal

产品相关信息

• 纯度: 95%

详细说明

DrugBank - DB00711

• Drug Groups: approved
• Description: An anthelmintic used primarily as the citrate in the treatment of filariasis, particularly infestations with Wucheria bancrofti or Loa loa. [PubChem]
• Indication: Used for the treatment of individual patients with certain filarial diseases including tropical pulmonary eosinophilia, loiasis, and lymphatic filariasis caused by infection with Wuchereria bancrofti, Brugia malayi, or Brugia timori.
• Pharmacology: Diethylcarbamazine is an anthelmintic drug that does not resemble other antiparasitic compounds. It is a synthetic organic compound which is highly specific for several parasites and does not contain any toxic metallic elements. Diethylcarbamazine continues to be the mainstay for treatment of patients with lymphatic filariasis and loiasis.
• Toxicity: Oral LD₅₀ in rat and mouse is 1400 mg/kg and 660 mg/kg, respectively.
• Affected Organisms: Humans and other mammals; Parasitic nematodes and other roundworms
• Biotransformation: Partially metabolized to diethylcarbamazine N-oxide.
• Absorption: Readily absorbed following oral administration.
• Half Life: Approximately 8 hours.
• External Links: Wikipedia