Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C14H11NO6 |
| Molecular Weight | 289.2402 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OCC1=CC=C(C=C1)C(=O)C2=CC(=C(O)C(O)=C2)[N+]([O-])=O
InChI
InChIKey=IIZHHVRWGKCZNC-UHFFFAOYSA-N
InChI=1S/C14H11NO6/c16-7-8-1-3-9(4-2-8)13(18)10-5-11(15(20)21)14(19)12(17)6-10/h1-6,16-17,19H,7H2
| Molecular Formula | C14H11NO6 |
| Molecular Weight | 289.2402 |
| 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
|
| Record UNII |
D834O1MPXP
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Code | English |
| Code System | Code | Type | Description | ||
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D834O1MPXP
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 | |||
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91800246
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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254912-15-7
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 | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
Plasma (2 h): 0.6%; Urine: 0.6%; Faeces: 0.9%; can be active as inhibitor, but too low for any substantial contribution to the action of tolcapone.
MINOR
FECAL; PLASMA; URINE
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