Diethylcarbamazine citrate salt - CAS 1642-54-2

Name: Diethylcarbamazine citrate salt
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB012086
Product Name:	Diethylcarbamazine citrate salt
CAS:	1642-54-2
Synonyms:	Dicarocide; Caritrol; Loxuran

Technical Data

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