Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H23N3O6 |
| Molecular Weight | 413.4238 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COCCOC1=CC2=C(C=C1OCCO)C(NC3=CC(CC(O)=O)=CC=C3)=NC=N2
InChI
InChIKey=IILOHZUILAOXFW-UHFFFAOYSA-N
InChI=1S/C21H23N3O6/c1-28-7-8-30-19-12-17-16(11-18(19)29-6-5-25)21(23-13-22-17)24-15-4-2-3-14(9-15)10-20(26)27/h2-4,9,11-13,25H,5-8,10H2,1H3,(H,26,27)(H,22,23,24)
| Molecular Formula | C21H23N3O6 |
| Molecular Weight | 413.4238 |
| 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 10:00:32 UTC 2023
by
admin
on
Sat Dec 16 10:00:32 UTC 2023
|
| Record UNII |
JBW9REG8TL
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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156596489
Created by
admin on Sat Dec 16 10:00:32 UTC 2023 , Edited by admin on Sat Dec 16 10:00:32 UTC 2023
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882172-52-3
Created by
admin on Sat Dec 16 10:00:32 UTC 2023 , Edited by admin on Sat Dec 16 10:00:32 UTC 2023
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JBW9REG8TL
Created by
admin on Sat Dec 16 10:00:32 UTC 2023 , Edited by admin on Sat Dec 16 10:00:32 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
MINOR
FECAL; URINE
|
