DIETHYLCARBAMAZINE CITRATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1950)
Entry Type: Small molecule
Molecule Category: Salt
UNII: OS1Z389K8S
Parent Compound: DIETHYLCARBAMAZINE

Structure
InChI Key PGNKBEARDDELNB-UHFFFAOYSA-N
Smile CCN(CC)C(=O)N1CCN(C)CC1.O=C(O)CC(O)(CC(=O)O)C(=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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H29N3O8
Molecular Weight 391.42
AlogP 0.7
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 26.79
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 14.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE MODULATOR Nematode GABA-A receptor positive modulator ISBN PubMed Wikipedia Wikipedia Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
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Related Entries

Parent

Cross References

Resources Reference
ChEBI 4528
ChEMBL CHEMBL937
EPA CompTox DTXSID4045555
FDA SRS OS1Z389K8S
PubChem 15432
SureChEMBL SCHEMBL37736
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