Details
Stereochemistry | ACHIRAL |
Molecular Formula | C14H13NO3 |
Molecular Weight | 243.2579 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C(C=C1)C(=O)C2=CC(N)=C(O)C(O)=C2
InChI
InChIKey=DXEPTAYUUHUOGM-UHFFFAOYSA-N
InChI=1S/C14H13NO3/c1-8-2-4-9(5-3-8)13(17)10-6-11(15)14(18)12(16)7-10/h2-7,16,18H,15H2,1H3
Molecular Formula | C14H13NO3 |
Molecular Weight | 243.2579 |
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
Sat Dec 16 09:48:30 GMT 2023
by
admin
on
Sat Dec 16 09:48:30 GMT 2023
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Record UNII |
A44QV87UP1
|
Record Status |
Validated (UNII)
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Record Version |
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-
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86206254
Created by
admin on Sat Dec 16 09:48:30 GMT 2023 , Edited by admin on Sat Dec 16 09:48:30 GMT 2023
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254912-17-9
Created by
admin on Sat Dec 16 09:48:30 GMT 2023 , Edited by admin on Sat Dec 16 09:48:30 GMT 2023
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A44QV87UP1
Created by
admin on Sat Dec 16 09:48:30 GMT 2023 , Edited by admin on Sat Dec 16 09:48:30 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> METABOLITE |
Plasma (2 h): 0.0%; Urine: 2.5%; Faeces: 5.8%; Can be active as inhibitor, but too low for any substantial contribution to the action of tolcapone.
MINOR
FECAL; URINE
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