Diethylcarbamazine citrateProduct ingredient for Diethylcarbamazine
- Name
- Diethylcarbamazine citrate
- Drug Entry
- Diethylcarbamazine
An anthelmintic used primarily as the citrate in the treatment of filariasis, particularly infestations with Wucheria bancrofti or Loa loa.
- Accession Number
- DBSALT000975
- Structure
Structure for Diethylcarbamazine citrate (DBSALT000975)
- Synonyms
- Not Available
- UNII
- OS1Z389K8S
- CAS Number
- 1642-54-2
- Weight
- Average: 391.421
Monoisotopic: 391.195464906 - Chemical Formula
- C16H29N3O8
- InChI Key
- PGNKBEARDDELNB-UHFFFAOYSA-N
- 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)
- IUPAC Name
- 2-hydroxypropane-1,2,3-tricarboxylic acid; N,N-diethyl-4-methylpiperazine-1-carboxamide
- SMILES
- OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN(CC)C(=O)N1CCN(C)CC1
- External Links
- ChemSpider
- 14687
- ChEBI
- 4528
- ChEMBL
- CHEMBL937
- Wikipedia
- Diethylcarbamazine
- Predicted Properties
Property Value Source Water Solubility 106.0 mg/mL ALOGPS logP -1.3 ALOGPS logP 0.092 Chemaxon logS -0.26 ALOGPS pKa (Strongest Basic) 6.9 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 2 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 26.79 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 58.28 m3·mol-1 Chemaxon Polarizability 23.09 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule Yes Chemaxon MDDR-like Rule No Chemaxon