Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C13H12F3N6O4S3.Na |
Molecular Weight | 492.452 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)CSC(F)(F)F)C([O-])=O
InChI
InChIKey=OTPDSOBPIAYYBT-YZUKSGEXSA-M
InChI=1S/C13H13F3N6O4S3.Na/c1-21-12(18-19-20-21)28-3-5-2-27-10-7(9(24)22(10)8(5)11(25)26)17-6(23)4-29-13(14,15)16;/h7,10H,2-4H2,1H3,(H,17,23)(H,25,26);/q;+1/p-1/t7-,10-;/m1./s1
Molecular Formula | Na |
Molecular Weight | 22.9898 |
Charge | 1 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C13H12F3N6O4S3 |
Molecular Weight | 469.462 |
Charge | -1 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:16:31 GMT 2023
by
admin
on
Fri Dec 15 15:16:31 GMT 2023
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Record UNII |
8NJ5RWV39D
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Record Status |
Validated (UNII)
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Record Version |
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-
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Official Name | English | ||
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Code | English | ||
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Code | English | ||
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Systematic Name | English |
Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C357
Created by
admin on Fri Dec 15 15:16:31 GMT 2023 , Edited by admin on Fri Dec 15 15:16:31 GMT 2023
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Code System | Code | Type | Description | ||
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C81028
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23702658
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8NJ5RWV39D
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100000174165
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52123-49-6
Created by
admin on Fri Dec 15 15:16:31 GMT 2023 , Edited by admin on Fri Dec 15 15:16:31 GMT 2023
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CHEMBL2110623
Created by
admin on Fri Dec 15 15:16:31 GMT 2023 , Edited by admin on Fri Dec 15 15:16:31 GMT 2023
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DTXSID50966480
Created by
admin on Fri Dec 15 15:16:31 GMT 2023 , Edited by admin on Fri Dec 15 15:16:31 GMT 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 |