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90-89-1 molecular structure
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N,N-diethyl-4-methylpiperazine-1-carboxamide

ChemBase ID: 592
Molecular Formular: C10H21N3O
Molecular Mass: 199.29324
Monoisotopic Mass: 199.16846231
SMILES and InChIs

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

Cite this record

CBID:592 http://www.chembase.cn/molecule-592.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
90-89-1
MDL Number
MFCD00023288
PubChem SID
160964055
46506830
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

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-119374 external link Add to cart Please log in.

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem ALOGPS 2.1
H Acceptors H Donor
LogD (pH = 5.5) -1.3199005  LogD (pH = 7.4) -0.027173506 
Log P 0.09160589  Molar Refractivity 58.2767 cm3
Polarizability 22.291203 Å3 Polar Surface Area 26.79 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Log P 0.9  LOG S 0.07 
Solubility (Water) 2.36e+02 g/l 

PROPERTIES

PROPERTIES

Physical Property Pharmacology Properties Product Information Bioassay(PubChem)
Solubility
63.7 mg/mL at 25 oC [MEYLAN,WM et al. (1996)] expand Show data source
Hydrophobicity(logP)
0.1 expand Show data source
1.616 expand Show data source
Half Life
. expand Show data source
Legal Status
Legal expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

DrugBank DrugBank Wikipedia Wikipedia
DrugBank - DB00711 external link
Item Information
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

REFERENCES

REFERENCES

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PATENTS

PATENTS

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