Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H19N3O5 |
| Molecular Weight | 393.3927 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COCCOC1=CC2=C(C=C1OCC(O)=O)N=CN=C2NC3=CC(=CC=C3)C#C
InChI
InChIKey=UFKZQJKDHRJVEF-UHFFFAOYSA-N
InChI=1S/C21H19N3O5/c1-3-14-5-4-6-15(9-14)24-21-16-10-18(28-8-7-27-2)19(29-12-20(25)26)11-17(16)22-13-23-21/h1,4-6,9-11,13H,7-8,12H2,2H3,(H,25,26)(H,22,23,24)
| Molecular Formula | C21H19N3O5 |
| Molecular Weight | 393.3927 |
| 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
Thu Jul 06 23:28:00 UTC 2023
by
admin
on
Thu Jul 06 23:28:00 UTC 2023
|
| Record UNII |
NE98M1L9HG
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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DTXSID60747565
Created by
admin on Thu Jul 06 23:28:01 UTC 2023 , Edited by admin on Thu Jul 06 23:28:01 UTC 2023
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122173861
Created by
admin on Thu Jul 06 23:28:01 UTC 2023 , Edited by admin on Thu Jul 06 23:28:01 UTC 2023
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882172-60-3
Created by
admin on Thu Jul 06 23:28:01 UTC 2023 , Edited by admin on Thu Jul 06 23:28:01 UTC 2023
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NE98M1L9HG
Created by
admin on Thu Jul 06 23:28:01 UTC 2023 , Edited by admin on Thu Jul 06 23:28:01 UTC 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
MINOR
FECAL; URINE
|
