Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H20N4O3 |
| Molecular Weight | 376.4085 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)C1=CC=C(C=C1)C2=NC(NC3=CC=C(C=C3)N4CCOCC4)=NC=C2
InChI
InChIKey=VYXONEXRZMHYRY-UHFFFAOYSA-N
InChI=1S/C21H20N4O3/c26-20(27)16-3-1-15(2-4-16)19-9-10-22-21(24-19)23-17-5-7-18(8-6-17)25-11-13-28-14-12-25/h1-10H,11-14H2,(H,26,27)(H,22,23,24)
| Molecular Formula | C21H20N4O3 |
| Molecular Weight | 376.4085 |
| 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 15:18:20 GMT 2023
by
admin
on
Sat Dec 16 15:18:20 GMT 2023
|
| Record UNII |
TV28NF837I
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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TV28NF837I
Created by
admin on Sat Dec 16 15:18:20 GMT 2023 , Edited by admin on Sat Dec 16 15:18:20 GMT 2023
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57990820
Created by
admin on Sat Dec 16 15:18:20 GMT 2023 , Edited by admin on Sat Dec 16 15:18:20 GMT 2023
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945749-71-3
Created by
admin on Sat Dec 16 15:18:20 GMT 2023 , Edited by admin on Sat Dec 16 15:18:20 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
PLASMA
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PARENT -> METABOLITE |
M19 coelute with M33 (m/z = 431.1469, oxidative metabolite of MMB) in human feces.
FECAL
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| Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
|---|---|---|---|---|---|---|
| Tmax | PHARMACOKINETIC |
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| Biological Half-life | PHARMACOKINETIC |
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