Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C13H15N3O |
| Molecular Weight | 229.2777 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
N[C@@H]1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(N)=O
InChI
InChIKey=PMQBOSGFSARWCB-MRVPVSSYSA-N
InChI=1S/C13H15N3O/c14-8-2-4-12-10(6-8)9-5-7(13(15)17)1-3-11(9)16-12/h1,3,5,8,16H,2,4,6,14H2,(H2,15,17)/t8-/m1/s1
| Molecular Formula | C13H15N3O |
| Molecular Weight | 229.2777 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:46:14 GMT 2025
by
admin
on
Mon Mar 31 23:46:14 GMT 2025
|
| Record UNII |
L1BW3Q7DKQ
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Code System | Code | Type | Description | ||
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147008-88-6
Created by
admin on Mon Mar 31 23:46:14 GMT 2025 , Edited by admin on Mon Mar 31 23:46:14 GMT 2025
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1286424
Created by
admin on Mon Mar 31 23:46:14 GMT 2025 , Edited by admin on Mon Mar 31 23:46:14 GMT 2025
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40466922
Created by
admin on Mon Mar 31 23:46:14 GMT 2025 , Edited by admin on Mon Mar 31 23:46:14 GMT 2025
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L1BW3Q7DKQ
Created by
admin on Mon Mar 31 23:46:14 GMT 2025 , Edited by admin on Mon Mar 31 23:46:14 GMT 2025
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
FECAL
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PARENT -> METABOLITE |
URINE
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