Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C12H9NO3 |
| Molecular Weight | 215.2048 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=CN(C(=O)C=C1)C2=CC=CC=C2
InChI
InChIKey=PETUTZMMIOWORO-UHFFFAOYSA-N
InChI=1S/C12H9NO3/c14-11-7-6-9(12(15)16)8-13(11)10-4-2-1-3-5-10/h1-8H,(H,15,16)
| Molecular Formula | C12H9NO3 |
| Molecular Weight | 215.2048 |
| 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 10:48:17 GMT 2023
by
admin
on
Sat Dec 16 10:48:17 GMT 2023
|
| Record UNII |
260RWO9IY8
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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260RWO9IY8
Created by
admin on Sat Dec 16 10:48:17 GMT 2023 , Edited by admin on Sat Dec 16 10:48:17 GMT 2023
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77837-08-2
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admin on Sat Dec 16 10:48:17 GMT 2023 , Edited by admin on Sat Dec 16 10:48:17 GMT 2023
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DTXSID10475285
Created by
admin on Sat Dec 16 10:48:17 GMT 2023 , Edited by admin on Sat Dec 16 10:48:17 GMT 2023
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11988812
Created by
admin on Sat Dec 16 10:48:17 GMT 2023 , Edited by admin on Sat Dec 16 10:48:17 GMT 2023
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| Related Record | Type | Details | ||
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PARENT -> METABOLITE INACTIVE |
In vitro profiling studies in hepatocytes and liver microsomes have shown that ESBRIET is primarily metabolized in the liver by CYP1A2 and multiple other CYPs (CYP2C9, 2C19, 2D6, and 2E1).
MAJOR
PLASMA; URINE
|
