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Diethylcarbamazine citrate

CAT: 0957-S4564-01Size: 100 mgDry Ice: YesHazardous: No
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CAT#:0957-S4564-01Size:100 mg
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Description
Diethylcarbamazine citrate is an inhibitor of arachidonic acid metabolism in filarial microfilaria and is highly specific for several parasites and does not contain any toxic metallic elements.
CAS Number
1642-54-2
Target
Parasite
Activity
Microbiology
Molecular Formula
C10H21N3O.C6H8O7
Storage Conditions
2 years -80 in solvent

Chemical Information

Diethylcarbamazine Citrate

Diethylcarbamazine citrate is a piperazinecarboxamide.

CAS Number1642-54-2
PubChem CID15432
IUPAC NameN,N-diethyl-4-methylpiperazine-1-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular FormulaC16H29N3O8
Molecular Weight391.42
Topological Polar Surface Area159
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity411
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)
InChIKey
PGNKBEARDDELNB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethylcarbamazine Citrate
CAS: 1642-54-2
CID: 15432
Formula: C16H29N3O8
MW: 391.42
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight391.42
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass391.19546489
Monoisotopic Mass391.19546489
Topological Polar Surface Area159 Ų
Heavy Atom Count27
Formal Charge0
Complexity411
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes