Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C17H17N3O8S |
Molecular Weight | 423.397 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CO\N=C(/C(=O)N[C@H]1[C@H]2SCC(COC(C)=O)=C(N2C1=O)C(O)=O)C3=CC=CO3
InChI
InChIKey=YBHZVPYSEUQIII-DYJQDLSISA-N
InChI=1S/C17H17N3O8S/c1-8(21)28-6-9-7-29-16-12(15(23)20(16)13(9)17(24)25)18-14(22)11(19-26-2)10-4-3-5-27-10/h3-5,12,16H,6-7H2,1-2H3,(H,18,22)(H,24,25)/b19-11-/t12-,16-/m1/s1
Molecular Formula | C17H17N3O8S |
Molecular Weight | 423.397 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 18:19:38 GMT 2025
by
admin
on
Mon Mar 31 18:19:38 GMT 2025
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Record UNII |
F69EA18270
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Record Status |
Validated (UNII)
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Record Version |
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-
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Code | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C357
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admin on Mon Mar 31 18:19:38 GMT 2025 , Edited by admin on Mon Mar 31 18:19:38 GMT 2025
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Code System | Code | Type | Description | ||
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254-592-2
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CHEMBL2104152
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DTXSID901043307
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admin on Mon Mar 31 18:19:38 GMT 2025 , Edited by admin on Mon Mar 31 18:19:38 GMT 2025
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F69EA18270
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admin on Mon Mar 31 18:19:38 GMT 2025 , Edited by admin on Mon Mar 31 18:19:38 GMT 2025
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100000082062
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admin on Mon Mar 31 18:19:38 GMT 2025 , Edited by admin on Mon Mar 31 18:19:38 GMT 2025
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9571078
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admin on Mon Mar 31 18:19:38 GMT 2025 , Edited by admin on Mon Mar 31 18:19:38 GMT 2025
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SUB07432MIG
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admin on Mon Mar 31 18:19:38 GMT 2025 , Edited by admin on Mon Mar 31 18:19:38 GMT 2025
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39685-31-9
Created by
admin on Mon Mar 31 18:19:38 GMT 2025 , Edited by admin on Mon Mar 31 18:19:38 GMT 2025
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C76177
Created by
admin on Mon Mar 31 18:19:38 GMT 2025 , Edited by admin on Mon Mar 31 18:19:38 GMT 2025
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5032
Created by
admin on Mon Mar 31 18:19:38 GMT 2025 , Edited by admin on Mon Mar 31 18:19:38 GMT 2025
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> IMPURITY |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |