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

• ChemBase ID: 592
• Molecular Formular: C10H21N3O
• Molecular Mass: 199.29324
• Monoisotopic Mass: 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

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-4-methylpiperazine-1-carboxamide
• IUPAC Traditional name: diethylcarbamazine
• Brand Name: Banocide; Bitirazine; Caracide; Caricide; Cypip; Hetrazan; Notezine; Spatonin; Decacide
• Synonyms: Diethyl carbamazine; Ethodryl; Ditrazine base; Carbamazine; Carbilazine; Diethylcarbamazine; N,N-diethyl-4-methylpiperazine-1-carboxamide

Database IDs

• CAS Number: 90-89-1
• MDL Number: MFCD00023288
• PubChem SID: 46506830; 160964055
• PubChem CID: 3052
• ATC CODE: QP52AH02; P02CB02
• CHEMBL: 684
• Chemspider ID: 2944
• DrugBank ID: DB00711
• KEGG ID: D07825
• Unique Ingredient Identifier: V867Q8X3ZD
• Wikipedia Title: Diethylcarbamazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.3199005
• LogD (pH = 7.4): -0.027173506
• Log P: 0.09160589
• Molar Refractivity: 58.2767 cm^3
• Polarizability: 22.291203 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 0.9
• LOG S: 0.07
• Solubility (Water): 2.36e+02 g/l

PROPERTIES

Physical Property

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

Pharmacology Properties

• Half Life: .
• Legal Status: Legal

Product Information

• Purity: 95%

DETAILS

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