Diethylcarbamazine citrate salt - CAS 1642-54-2
Catalog: |
BB012086 |
Product Name: |
Diethylcarbamazine citrate salt |
CAS: |
1642-54-2 |
Synonyms: |
Dicarocide; Caritrol; Loxuran |
IUPAC Name: | N,N-diethyl-4-methylpiperazine-1-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid |
Description: | Diethylcarbamazine Citrate can be used as an anthelmintic. The LD50 in rats is 1.38 g/kg. Diethylcarbamazine citrate is a muscle relaxant, causing general central nervous system depression, relieving pain caused by strains, sprains, and other musculoskeletal conditions. It can be used for cerebrospinal filariasis in horses and sheep, heart filariasis in dogs, as well as lung filariasis in livestock. |
Molecular Weight: | 391.42 |
Molecular Formula: | C16H29N3O8 |
Canonical SMILES: | CCN(CC)C(=O)N1CCN(CC1)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
InChI: | InChI=1S/C10H21N3O.C6H8O7/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-9H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12) |
InChI Key: | PGNKBEARDDELNB-UHFFFAOYSA-N |
Boiling Point: | 297.4 °C at 760 mmHg |
Melting Point: | 140 °C |
Purity: | > 98 % |
Solubility: | Soluble in DMSO |
Appearance: | White, Crystalline powder |
Storage: | Store at -20 °C |
Decomposition: | When heated to decomposition it emits ... Fumes of nitrogen oxides |
MDL: | MFCD00039124 |
LogP: | -0.67710 |
Stability: | The product /as tablets/ is stable even under conditions of high temp and humidity |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P271, P284, P301+P312, P304+P340, P310, P320, P330, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021145731-A1 | Multimodal compositions and methods of treatment | 20191114 |
WO-2021097247-A1 | Multimodal compositions and methods of treatment | 20191114 |
US-2021128511-A1 | Prodrug compositions and methods of treatment | 20191101 |
WO-2021087359-A1 | Prodrug compositions and methods of treatment | 20191101 |
WO-2021046438-A1 | Regenerating functions and phenotypes of connective tissue through npas2 suppression | 20190904 |
PMID | Publication Date | Title | Journal |
31557154 | 20190901 | Systems analysis-based assessment of post-treatment adverse events in lymphatic filariasis | PLoS neglected tropical diseases |
23571415 | 20130601 | Structure-based identification of OATP1B1/3 inhibitors | Molecular pharmacology |
22706168 | 20121009 | Role of leukotrienes in N-(3,5-dichlorophenyl)succinimide (NDPS) and NDPS metabolite nephrotoxicity in male Fischer 344 rats | Toxicology |
22683874 | 20120815 | Effect of diethylcarbamazine on chronic hepatic inflammation induced by alcohol in C57BL/6 mice | European journal of pharmacology |
22172479 | 20120601 | Tropical pulmonary eosinophilia misdiagnosed as miliary tuberculosis: a case report and literature review | Parasitology international |
Complexity: | 411 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 391.19546489 |
Formal Charge: | 0 |
Heavy Atom Count: | 27 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 391.19546489 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 159 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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