Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C12H13N5O4 |
| Molecular Weight | 291.2627 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
NC1=NC=NN2C1=CC=C2[C@@]3(O[C@H](CO)[C@@H](O)[C@H]3O)C#N
InChI
InChIKey=BRDWIEOJOWJCLU-LTGWCKQJSA-N
InChI=1S/C12H13N5O4/c13-4-12(10(20)9(19)7(3-18)21-12)8-2-1-6-11(14)15-5-16-17(6)8/h1-2,5,7,9-10,18-20H,3H2,(H2,14,15,16)/t7-,9-,10-,12+/m1/s1
| Molecular Formula | C12H13N5O4 |
| Molecular Weight | 291.2627 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 07:04:40 GMT 2025
by
admin
on
Wed Apr 02 07:04:40 GMT 2025
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| Record UNII |
1BQK176DT6
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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Code | English | ||
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Preferred Name | English | ||
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Systematic Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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44468216
Created by
admin on Wed Apr 02 07:04:40 GMT 2025 , Edited by admin on Wed Apr 02 07:04:40 GMT 2025
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1BQK176DT6
Created by
admin on Wed Apr 02 07:04:40 GMT 2025 , Edited by admin on Wed Apr 02 07:04:40 GMT 2025
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DTXSID201028047
Created by
admin on Wed Apr 02 07:04:40 GMT 2025 , Edited by admin on Wed Apr 02 07:04:40 GMT 2025
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DB15686
Created by
admin on Wed Apr 02 07:04:40 GMT 2025 , Edited by admin on Wed Apr 02 07:04:40 GMT 2025
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1191237-69-0
Created by
admin on Wed Apr 02 07:04:40 GMT 2025 , Edited by admin on Wed Apr 02 07:04:40 GMT 2025
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GS-441524
Created by
admin on Wed Apr 02 07:04:40 GMT 2025 , Edited by admin on Wed Apr 02 07:04:40 GMT 2025
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147281
Created by
admin on Wed Apr 02 07:04:40 GMT 2025 , Edited by admin on Wed Apr 02 07:04:40 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET ORGANISM->INHIBITOR |
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EXCRETED UNCHANGED |
URINE
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TARGET ORGANISM->INHIBITOR |
IN human airway epithelial cells (HAE)
EC50
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TARGET ORGANISM->INHIBITOR |
IN human airway epithelial cells (HAE)
EC50
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BINDER->LIGAND |
BINDING
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PRODRUG -> METABOLITE ACTIVE |
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METABOLITE ACTIVE -> PARENT |
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PRODRUG -> METABOLITE ACTIVE |
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METABOLITE ACTIVE -> PARENT |
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PRODRUG -> METABOLITE ACTIVE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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| Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
|---|---|---|---|---|---|---|
| Biological Half-life | PHARMACOKINETIC |
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| Tmax | PHARMACOKINETIC |
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| Blood-to-plasma ratio | PHARMACOKINETIC |
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