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=CC=NC(NC3=CC=C(C=C3)N4CCOCC4)=N2
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
Wed Apr 02 05:15:38 GMT 2025
by
admin
on
Wed Apr 02 05:15:38 GMT 2025
|
| Record UNII |
TV28NF837I
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Systematic Name | English | ||
|
Preferred Name | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
TV28NF837I
Created by
admin on Wed Apr 02 05:15:38 GMT 2025 , Edited by admin on Wed Apr 02 05:15:38 GMT 2025
|
PRIMARY | |||
|
57990820
Created by
admin on Wed Apr 02 05:15:38 GMT 2025 , Edited by admin on Wed Apr 02 05:15:38 GMT 2025
|
PRIMARY | |||
|
945749-71-3
Created by
admin on Wed Apr 02 05:15:38 GMT 2025 , Edited by admin on Wed Apr 02 05:15:38 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
PLASMA
|
||
|
PARENT -> METABOLITE |
M19 coelute with M33 (m/z = 431.1469, oxidative metabolite of MMB) in human feces.
FECAL
|
| Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
|---|---|---|---|---|---|---|
| Tmax | PHARMACOKINETIC |
|
|
|||
| Biological Half-life | PHARMACOKINETIC |
|
|
|||