Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C12H12FN5O3.H2O |
| Molecular Weight | 311.2691 |
| Optical Activity | ( + ) |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.NC1=C2N=CN([C@H]3C[C@H](O)[C@@](CO)(O3)C#C)C2=NC(F)=N1
InChI
InChIKey=KRUZUXMDKXRQFG-OLENLRBRSA-N
InChI=1S/C12H12FN5O3.H2O/c1-2-12(4-19)6(20)3-7(21-12)18-5-15-8-9(14)16-11(13)17-10(8)18;/h1,5-7,19-20H,3-4H2,(H2,14,16,17);1H2/t6-,7+,12+;/m0./s1
| Molecular Formula | C12H12FN5O3 |
| Molecular Weight | 293.2538 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | ( + ) |
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| 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
Mon Mar 31 23:06:02 GMT 2025
by
admin
on
Mon Mar 31 23:06:02 GMT 2025
|
| Record UNII |
34BAW3S0M5
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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Preferred Name | English | ||
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Code | English | ||
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| Code System | Code | Type | Description | ||
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162368373
Created by
admin on Mon Mar 31 23:06:02 GMT 2025 , Edited by admin on Mon Mar 31 23:06:02 GMT 2025
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JK-108
Created by
admin on Mon Mar 31 23:06:02 GMT 2025 , Edited by admin on Mon Mar 31 23:06:02 GMT 2025
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2408129-39-3
Created by
admin on Mon Mar 31 23:06:02 GMT 2025 , Edited by admin on Mon Mar 31 23:06:02 GMT 2025
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34BAW3S0M5
Created by
admin on Mon Mar 31 23:06:02 GMT 2025 , Edited by admin on Mon Mar 31 23:06:02 GMT 2025
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C188466
Created by
admin on Mon Mar 31 23:06:02 GMT 2025 , Edited by admin on Mon Mar 31 23:06:02 GMT 2025
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300000044103
Created by
admin on Mon Mar 31 23:06:02 GMT 2025 , Edited by admin on Mon Mar 31 23:06:02 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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ANHYDROUS->SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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