Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C20H22N2O7 |
| Molecular Weight | 402.3979 |
| Optical Activity | NONE |
| Additional Stereochemistry | Yes |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | AXIAL, RACEMIC |
SHOW SMILES / InChI
SMILES
COC(=O)C1=C(C)N=C(C)C(C(=O)OCC(C)(C)O)=C1C2=C(C=CC=C2)[N+]([O-])=O
InChI
InChIKey=VGHZPGANWLJLMC-UHFFFAOYSA-N
InChI=1S/C20H22N2O7/c1-11-15(18(23)28-5)17(13-8-6-7-9-14(13)22(26)27)16(12(2)21-11)19(24)29-10-20(3,4)25/h6-9,25H,10H2,1-5H3
| Molecular Formula | C20H22N2O7 |
| Molecular Weight | 402.3979 |
| 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 09:05:15 UTC 2023
by
admin
on
Sat Dec 16 09:05:15 UTC 2023
|
| Record UNII |
1389F118LV
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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91668155
Created by
admin on Sat Dec 16 09:05:15 UTC 2023 , Edited by admin on Sat Dec 16 09:05:15 UTC 2023
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1389F118LV
Created by
admin on Sat Dec 16 09:05:15 UTC 2023 , Edited by admin on Sat Dec 16 09:05:15 UTC 2023
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117173-14-5
Created by
admin on Sat Dec 16 09:05:15 UTC 2023 , Edited by admin on Sat Dec 16 09:05:15 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
Dehydrogenation step is catalyzed by the cytochrome P450 (CYP) 3A4 enzyme
PLASMA
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