Details
| Stereochemistry | UNKNOWN |
| Molecular Formula | C12H17NO3 |
| Molecular Weight | 223.2683 |
| Optical Activity | ( - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCOC1=CC=C(NC(=O)CC(C)O)C=C1
InChI
InChIKey=LIAWQASKBFCRNR-UHFFFAOYSA-N
InChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)
| Molecular Formula | C12H17NO3 |
| Molecular Weight | 223.2683 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
DescriptionCurator's Comment: Description was created based on several sources, including
http://www.waters.com/webassets/cms/library/docs/720004141en.pdf | http://www.waters.com/webassets/cms/library/docs/720005475en.pdf | http://journals.sagepub.com/doi/abs/10.1177/009286150103500134
Curator's Comment: Description was created based on several sources, including
http://www.waters.com/webassets/cms/library/docs/720004141en.pdf | http://www.waters.com/webassets/cms/library/docs/720005475en.pdf | http://journals.sagepub.com/doi/abs/10.1177/009286150103500134
Bucetin (3-hydroxy-p-butyrophenetidide) is an antipyretic analgesic drug with cancerogenic potential. Bucetin was withdrawn from the market due to renal toxicity. The compound has the chiral center. Pharmacological activity of enantiomers is unknown. The racemic mixture is used as a model compound to demostrate effectivity of the chiral supercritical fluid chromatography purification.
Approval Year
Sample Use Guides
In Vivo Use Guide
Curator's Comment: The tablet contains bucetin 100 mg, ethoxybenzamide 100 mg, Al-acetylsalicylate 180 mg (https://www.jstage.jst.go.jp/article/cpb1958/15/7/15_7_1002/_pdf)
The tablet contains bucetin 100 mg. The tablets are given to male adults with 200 ml of water on a fasting stomach.
Route of Administration:
Oral
In Vitro Use Guide
Curator's Comment: https://www.jstage.jst.go.jp/article/cpb1958/33/7/33_7_2877/_pdf
Bucetin was found to be mutagenic to Salmonella typhimurum TA100 in the presence of liver 9000g supernatant fraction (S9) prepared from polychlorinated biphenyl (PCB)-treated hamsters and a reduced NADPH-generating system.
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:24:43 UTC 2023
by
admin
on
Sat Dec 16 10:24:43 UTC 2023
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| Record UNII |
PLF54F8S2F
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| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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156674-10-1
Created by
admin on Sat Dec 16 10:24:43 UTC 2023 , Edited by admin on Sat Dec 16 10:24:43 UTC 2023
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PLF54F8S2F
Created by
admin on Sat Dec 16 10:24:43 UTC 2023 , Edited by admin on Sat Dec 16 10:24:43 UTC 2023
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| Related Record | Type | Details | ||
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RACEMATE -> ENANTIOMER |
