Details
Stereochemistry | ACHIRAL |
Molecular Formula | C13H11N3.H2O4S |
Molecular Weight | 307.325 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.NC1=CC2=NC3=C(C=CC(N)=C3)C=C2C=C1
InChI
InChIKey=WSFHCKWLECYVBS-UHFFFAOYSA-N
InChI=1S/C13H11N3.H2O4S/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;1-5(2,3)4/h1-7H,14-15H2;(H2,1,2,3,4)
Molecular Formula | H2O4S |
Molecular Weight | 98.078 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C13H11N3 |
Molecular Weight | 209.2465 |
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
Fri Dec 15 15:13:08 UTC 2023
by
admin
on
Fri Dec 15 15:13:08 UTC 2023
|
Record UNII |
2961Y60ATP
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C582
Created by
admin on Fri Dec 15 15:13:08 UTC 2023 , Edited by admin on Fri Dec 15 15:13:08 UTC 2023
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NCI_THESAURUS |
C28394
Created by
admin on Fri Dec 15 15:13:08 UTC 2023 , Edited by admin on Fri Dec 15 15:13:08 UTC 2023
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Code System | Code | Type | Description | ||
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m9157
Created by
admin on Fri Dec 15 15:13:08 UTC 2023 , Edited by admin on Fri Dec 15 15:13:08 UTC 2023
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PRIMARY | Merck Index | ||
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2961Y60ATP
Created by
admin on Fri Dec 15 15:13:08 UTC 2023 , Edited by admin on Fri Dec 15 15:13:08 UTC 2023
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C76758
Created by
admin on Fri Dec 15 15:13:08 UTC 2023 , Edited by admin on Fri Dec 15 15:13:08 UTC 2023
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209-038-4
Created by
admin on Fri Dec 15 15:13:08 UTC 2023 , Edited by admin on Fri Dec 15 15:13:08 UTC 2023
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CHEMBL55400
Created by
admin on Fri Dec 15 15:13:08 UTC 2023 , Edited by admin on Fri Dec 15 15:13:08 UTC 2023
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11111
Created by
admin on Fri Dec 15 15:13:08 UTC 2023 , Edited by admin on Fri Dec 15 15:13:08 UTC 2023
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DTXSID90203821
Created by
admin on Fri Dec 15 15:13:08 UTC 2023 , Edited by admin on Fri Dec 15 15:13:08 UTC 2023
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1510
Created by
admin on Fri Dec 15 15:13:08 UTC 2023 , Edited by admin on Fri Dec 15 15:13:08 UTC 2023
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553-30-0
Created by
admin on Fri Dec 15 15:13:08 UTC 2023 , Edited by admin on Fri Dec 15 15:13:08 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |