Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C18H13NO10 |
| Molecular Weight | 403.2965 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CNC(=O)OC1=CC(=CC=C1O)C2=C(O)C(=O)C3=C(O2)C=C(O)C=C3O
InChI
InChIKey=PJHBXFNXVPBOAI-UHFFFAOYSA-N
InChI=1S/C18H13NO10/c20-8-4-10(22)14-12(5-8)28-17(16(26)15(14)25)7-1-2-9(21)11(3-7)29-18(27)19-6-13(23)24/h1-5,20-22,26H,6H2,(H,19,27)(H,23,24)
| Molecular Formula | C18H13NO10 |
| Molecular Weight | 403.2965 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 16:58:35 GMT 2025
by
admin
on
Tue Apr 01 16:58:35 GMT 2025
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| Record UNII |
9UA2FPZ3ZK
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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Preferred Name | English | ||
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201280-73-1
Created by
admin on Tue Apr 01 16:58:35 GMT 2025 , Edited by admin on Tue Apr 01 16:58:35 GMT 2025
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9UA2FPZ3ZK
Created by
admin on Tue Apr 01 16:58:35 GMT 2025 , Edited by admin on Tue Apr 01 16:58:35 GMT 2025
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9844095
Created by
admin on Tue Apr 01 16:58:35 GMT 2025 , Edited by admin on Tue Apr 01 16:58:35 GMT 2025
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CHEMBL3545140
Created by
admin on Tue Apr 01 16:58:35 GMT 2025 , Edited by admin on Tue Apr 01 16:58:35 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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METABOLITE ACTIVE -> PRODRUG |
To overcome these limitations, QC12, a water-soluble glycine carbamate prodrug of quercetin, was synthesized and evaluated in a clinical study to investigate its pharmacokinetics following oral administrations to cancer patients.
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
The glycine carbamate moiety of QC12 was designed to be lost in the blood stream by hydrolysis to give the active ingredient, quercetin. In vitro hydrolysis of QC12 to quercetin at 37 ?C in water showed the prodrug to be stable with a half-life of 16.9 h while the half-life in whole blood was only 0.39 h.
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