Structure

InChI Key JDDHUROHDHPVIO-UHFFFAOYSA-N
Smile C1CNCCN1.C1CNCCN1.C1CNCCN1.O=C(O)CC(O)(CC(=O)O)C(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChI
InChI=1S/2C6H8O7.3C4H10N2/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;3*1-2-6-4-3-5-1/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3*5-6H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H46N6O14
Molecular Weight 642.66
AlogP None
Hydrogen Bond Acceptor None
Hydrogen Bond Donor None
Number of Rotational Bond None
Polar Surface Area None
Molecular species None
Aromatic Rings None
Heavy Atoms None

Pharmacology

Action Mechanism of Action Reference
POSITIVE MODULATOR Nematode GABA-A receptor positive modulator ISBN PubMed PubMed Wikipedia Wikipedia

Cross References

Resources Reference
ChEMBL CHEMBL3989678
FDA SRS 63KP7FXF2I
PubChem 131801040
ChEBI 79399
ChEMBL CHEMBL3990694
EPA CompTox DTXSID40883334
FDA SRS RI85381D5G
KEGG C13660
PubChem 131801040
SureChEMBL SCHEMBL94288