Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C16H16N2O4S |
| Molecular Weight | 332.374 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(CO)COC1=C(C=C(C=C1)C2=NC(C)=C(S2)C(O)=O)C#N
InChI
InChIKey=FPODSLPQWIIKKI-UHFFFAOYSA-N
InChI=1S/C16H16N2O4S/c1-9(7-19)8-22-13-4-3-11(5-12(13)6-17)15-18-10(2)14(23-15)16(20)21/h3-5,9,19H,7-8H2,1-2H3,(H,20,21)
| Molecular Formula | C16H16N2O4S |
| Molecular Weight | 332.374 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:13:54 GMT 2023
by
admin
on
Sat Dec 16 09:13:54 GMT 2023
|
| Record UNII |
OUZ34W2CFD
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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| Code System | Code | Type | Description | ||
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OUZ34W2CFD
Created by
admin on Sat Dec 16 09:13:55 GMT 2023 , Edited by admin on Sat Dec 16 09:13:55 GMT 2023
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PRIMARY | |||
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887945-96-2
Created by
admin on Sat Dec 16 09:13:55 GMT 2023 , Edited by admin on Sat Dec 16 09:13:55 GMT 2023
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PRIMARY | |||
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9818975
Created by
admin on Sat Dec 16 09:13:55 GMT 2023 , Edited by admin on Sat Dec 16 09:13:55 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
BINDER->LIGAND |
BINDING
|
||
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|
ENANTIOMER -> RACEMATE | |||
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ENANTIOMER -> RACEMATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE ACTIVE |
MAJOR
FECAL
|
