TRIACETIN

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Synonyms
Status
Molecule Category Free-form
UNII XHX3C3X673
EPA CompTox DTXSID3026691

Structure

InChI Key URAYPUMNDPQOKB-UHFFFAOYSA-N
Smiles CC(=O)OCC(COC(C)=O)OC(C)=O
InChI
InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H14O6
Molecular Weight 218.21
AlogP 0.04
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 5.0
Polar Surface Area 78.9
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 15.0

Pharmacology

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
- - - - 86.74-98.2
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 86.74-98.2

Cross References

Resources Reference
ChEBI 9661
ChEMBL CHEMBL1489254
DrugBank DB16005
DrugCentral 3624
FDA SRS XHX3C3X673
Human Metabolome Database HMDB0029592
PubChem 5541
SureChEMBL SCHEMBL3870
ZINC ZINC000001530705
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