Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H20N4O4 |
| Molecular Weight | 392.4079 |
| Optical Activity | NONE |
| Additional Stereochemistry | Yes |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | AXIAL, S- |
SHOW SMILES / InChI
SMILES
CCOC1=NC=C(CO)C2=NC(C)=C(C(N)=O)C(C3=CC=C(C=C3OC)C#N)=C12
InChI
InChIKey=NDDMAQJAHPLAFV-UHFFFAOYSA-N
InChI=1S/C21H20N4O4/c1-4-29-21-18-17(14-6-5-12(8-22)7-15(14)28-3)16(20(23)27)11(2)25-19(18)13(10-26)9-24-21/h5-7,9,26H,4,10H2,1-3H3,(H2,23,27)
| Molecular Formula | C21H20N4O4 |
| Molecular Weight | 392.4079 |
| 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 16:09:01 UTC 2023
by
admin
on
Sat Dec 16 16:09:01 UTC 2023
|
| Record UNII |
MUC5R84538
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Systematic Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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2088051-07-2
Created by
admin on Sat Dec 16 16:09:02 UTC 2023 , Edited by admin on Sat Dec 16 16:09:02 UTC 2023
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PRIMARY | |||
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MUC5R84538
Created by
admin on Sat Dec 16 16:09:02 UTC 2023 , Edited by admin on Sat Dec 16 16:09:02 UTC 2023
|
PRIMARY | |||
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126623573
Created by
admin on Sat Dec 16 16:09:02 UTC 2023 , Edited by admin on Sat Dec 16 16:09:02 UTC 2023
|
PRIMARY |
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PARENT -> METABOLITE |
FECAL
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