Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C17H17ClN6O4 |
| Molecular Weight | 404.808 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[N+]1([O-])CCN(CC1)C(=O)OC2N(C(=O)C3=NC=CN=C23)C4=NC=C(Cl)C=C4
InChI
InChIKey=IPTIKKTXLHVRKN-UHFFFAOYSA-N
InChI=1S/C17H17ClN6O4/c1-24(27)8-6-22(7-9-24)17(26)28-16-14-13(19-4-5-20-14)15(25)23(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3
| Molecular Formula | C17H17ClN6O4 |
| Molecular Weight | 404.808 |
| Charge | 0 |
| Count |
|
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:26:56 GMT 2025
by
admin
on
Mon Mar 31 23:26:56 GMT 2025
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| Record UNII |
0XXQ8C2EK4
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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1255861
Created by
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0XXQ8C2EK4
Created by
admin on Mon Mar 31 23:26:56 GMT 2025 , Edited by admin on Mon Mar 31 23:26:56 GMT 2025
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43200-96-0
Created by
admin on Mon Mar 31 23:26:56 GMT 2025 , Edited by admin on Mon Mar 31 23:26:56 GMT 2025
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162548
Created by
admin on Mon Mar 31 23:26:56 GMT 2025 , Edited by admin on Mon Mar 31 23:26:56 GMT 2025
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DTXSID20962959
Created by
admin on Mon Mar 31 23:26:56 GMT 2025 , Edited by admin on Mon Mar 31 23:26:56 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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ENANTIOMER -> RACEMATE |
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ENANTIOMER -> RACEMATE |
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| Related Record | Type | Details | ||
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PARENT -> METABOLITE |
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| Related Record | Type | Details | ||
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PARENT -> IMPURITY | |||
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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