Details
Stereochemistry | ACHIRAL |
Molecular Formula | C13H9N5O6.H2O |
Molecular Weight | 349.2557 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.OC(=O)CN1C(=O)C(=O)NC2=CC(=C(C=C12)N3C=CN=C3)[N+]([O-])=O
InChI
InChIKey=OBHWTRBRRFQGRJ-UHFFFAOYSA-N
InChI=1S/C13H9N5O6.H2O/c19-11(20)5-17-8-4-9(16-2-1-14-6-16)10(18(23)24)3-7(8)15-12(21)13(17)22;/h1-4,6H,5H2,(H,15,21)(H,19,20);1H2
Approval Year
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Code | English | ||
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C47795
Created by
admin on Fri Dec 15 15:48:44 UTC 2023 , Edited by admin on Fri Dec 15 15:48:44 UTC 2023
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NCI_THESAURUS |
C1509
Created by
admin on Fri Dec 15 15:48:44 UTC 2023 , Edited by admin on Fri Dec 15 15:48:44 UTC 2023
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Code System | Code | Type | Description | ||
---|---|---|---|---|---|
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C152963
Created by
admin on Fri Dec 15 15:48:44 UTC 2023 , Edited by admin on Fri Dec 15 15:48:44 UTC 2023
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PRIMARY | |||
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CHEMBL119625
Created by
admin on Fri Dec 15 15:48:44 UTC 2023 , Edited by admin on Fri Dec 15 15:48:44 UTC 2023
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PRIMARY | |||
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C110629
Created by
admin on Fri Dec 15 15:48:44 UTC 2023 , Edited by admin on Fri Dec 15 15:48:44 UTC 2023
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PRIMARY | |||
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MM-48
Created by
admin on Fri Dec 15 15:48:44 UTC 2023 , Edited by admin on Fri Dec 15 15:48:44 UTC 2023
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PRIMARY | |||
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11G3FV7PG7
Created by
admin on Fri Dec 15 15:48:44 UTC 2023 , Edited by admin on Fri Dec 15 15:48:44 UTC 2023
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PRIMARY | |||
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300000034478
Created by
admin on Fri Dec 15 15:48:44 UTC 2023 , Edited by admin on Fri Dec 15 15:48:44 UTC 2023
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PRIMARY | |||
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DTXSID30196900
Created by
admin on Fri Dec 15 15:48:44 UTC 2023 , Edited by admin on Fri Dec 15 15:48:44 UTC 2023
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PRIMARY | |||
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9798437
Created by
admin on Fri Dec 15 15:48:44 UTC 2023 , Edited by admin on Fri Dec 15 15:48:44 UTC 2023
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PRIMARY | |||
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466685-98-3
Created by
admin on Fri Dec 15 15:48:44 UTC 2023 , Edited by admin on Fri Dec 15 15:48:44 UTC 2023
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PRIMARY |
ACTIVE MOIETY
SUBSTANCE RECORD