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+].CN1N=NN=C1SCC2=C(N3[C@H](SC2)[C@H](NC(=O)CSC(F)(F)F)C3=O)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 | 22.98976928 |
| 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
Mon Mar 31 17:52:29 GMT 2025
by
admin
on
Mon Mar 31 17:52:29 GMT 2025
|
| Record UNII |
8NJ5RWV39D
|
| Record Status |
Validated (UNII)
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| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Official Name | English | ||
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Preferred Name | English | ||
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Common Name | English | ||
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Common Name | English | ||
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Code | English | ||
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Systematic Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
NCI_THESAURUS |
C357
Created by
admin on Mon Mar 31 17:52:29 GMT 2025 , Edited by admin on Mon Mar 31 17:52:29 GMT 2025
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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
Created by
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52123-49-6
Created by
admin on Mon Mar 31 17:52:29 GMT 2025 , Edited by admin on Mon Mar 31 17:52:29 GMT 2025
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CHEMBL2110623
Created by
admin on Mon Mar 31 17:52:29 GMT 2025 , Edited by admin on Mon Mar 31 17:52:29 GMT 2025
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PRIMARY | |||
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DTXSID50966480
Created by
admin on Mon Mar 31 17:52:29 GMT 2025 , Edited by admin on Mon Mar 31 17:52:29 GMT 2025
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PRIMARY |
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|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |