Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C16H14N2O5S |
| Molecular Weight | 346.358 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(COC1=C(C=C(C=C1)C2=NC(C)=C(S2)C(O)=O)C#N)C(O)=O
InChI
InChIKey=LCBACLAPKJRMIF-UHFFFAOYSA-N
InChI=1S/C16H14N2O5S/c1-8(15(19)20)7-23-12-4-3-10(5-11(12)6-17)14-18-9(2)13(24-14)16(21)22/h3-5,8H,7H2,1-2H3,(H,19,20)(H,21,22)
| Molecular Formula | C16H14N2O5S |
| Molecular Weight | 346.358 |
| 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 08:58:33 UTC 2023
by
admin
on
Sat Dec 16 08:58:33 UTC 2023
|
| Record UNII |
NRN27Y63ZG
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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| Code System | Code | Type | Description | ||
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NRN27Y63ZG
Created by
admin on Sat Dec 16 08:58:33 UTC 2023 , Edited by admin on Sat Dec 16 08:58:33 UTC 2023
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407582-49-4
Created by
admin on Sat Dec 16 08:58:33 UTC 2023 , Edited by admin on Sat Dec 16 08:58:33 UTC 2023
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DTXSID701148050
Created by
admin on Sat Dec 16 08:58:33 UTC 2023 , Edited by admin on Sat Dec 16 08:58:33 UTC 2023
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11956740
Created by
admin on Sat Dec 16 08:58:33 UTC 2023 , Edited by admin on Sat Dec 16 08:58:33 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
BINDER->LIGAND |
BINDING
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| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE ACTIVE |
URINE
|
