Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C19H17O6S.Na |
| Molecular Weight | 396.389 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CC1=C(OC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C)S([O-])(=O)=O
InChI
InChIKey=AZEZEAABTDXEHR-UHFFFAOYSA-M
InChI=1S/C19H18O6S.Na/c1-9-13-15(20)16(21)14-10-5-4-8-19(2,3)12(10)7-6-11(14)17(13)25-18(9)26(22,23)24;/h6-7H,4-5,8H2,1-3H3,(H,22,23,24);/q;+1/p-1
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: O00748 Gene ID: 8824.0 Gene Symbol: CES2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/23286284 |
3.9 µM [Ki] |
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23669322
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SUB25717
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100000090614
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DTXSID00219953
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ACTIVE MOIETY
SUBSTANCE RECORD