Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C12H12O4 |
| Molecular Weight | 220.2213 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)CCCC1OC(=O)C2=C1C=CC=C2
InChI
InChIKey=ZNPCTSQOTVUABI-UHFFFAOYSA-N
InChI=1S/C12H12O4/c13-11(14)7-3-6-10-8-4-1-2-5-9(8)12(15)16-10/h1-2,4-5,10H,3,6-7H2,(H,13,14)
| Molecular Formula | C12H12O4 |
| Molecular Weight | 220.2213 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:04:54 UTC 2023
by
admin
on
Sat Dec 16 16:04:54 UTC 2023
|
| Record UNII |
WPM6RDW2DS
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Common Name | English |
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139522978
Created by
admin on Sat Dec 16 16:04:54 UTC 2023 , Edited by admin on Sat Dec 16 16:04:54 UTC 2023
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WPM6RDW2DS
Created by
admin on Sat Dec 16 16:04:54 UTC 2023 , Edited by admin on Sat Dec 16 16:04:54 UTC 2023
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PRIMARY | |||
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1485081-25-1
Created by
admin on Sat Dec 16 16:04:54 UTC 2023 , Edited by admin on Sat Dec 16 16:04:54 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
MAJOR
PLASMA; URINE
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| Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
|---|---|---|---|---|---|---|
| Tmax | PHARMACOKINETIC |
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| Biological Half-life | PHARMACOKINETIC |
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ORAL ADMINISTRATION |
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