Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C14H20O3 |
| Molecular Weight | 236.3068 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=C(O)C=CC(\C=C\C(O)C(C)(C)C)=C1
InChI
InChIKey=KZMOPPALPUQHAR-SOFGYWHQSA-N
InChI=1S/C14H20O3/c1-14(2,3)13(16)8-6-10-5-7-11(15)12(9-10)17-4/h5-9,13,15-16H,1-4H3/b8-6+
| Molecular Formula | C14H20O3 |
| Molecular Weight | 236.3068 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:01:26 UTC 2023
by
admin
on
Sat Dec 16 08:01:26 UTC 2023
|
| Record UNII |
76999ILB2K
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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6446397
Created by
admin on Sat Dec 16 08:01:26 UTC 2023 , Edited by admin on Sat Dec 16 08:01:26 UTC 2023
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76999ILB2K
Created by
admin on Sat Dec 16 08:01:26 UTC 2023 , Edited by admin on Sat Dec 16 08:01:26 UTC 2023
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58344-42-6
Created by
admin on Sat Dec 16 08:01:26 UTC 2023 , Edited by admin on Sat Dec 16 08:01:26 UTC 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE INACTIVE |
Recovery of para-hydroxy metabolite from urine after deglucuronization; urine was accumulated for 12hr after a single oral dose of 600mg (a single subject); Recovered metabolites total: 439.8mg
IN-VIVO
URINE
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