Details
Stereochemistry | ACHIRAL |
Molecular Formula | C18H11F3N2O2S.H2O |
Molecular Weight | 394.368 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.OC(=O)CN1C=C(CC2=NC3=C(S2)C(F)=CC(F)=C3F)C4=C1C=CC=C4
InChI
InChIKey=DLZGQGBHYCAKQA-UHFFFAOYSA-N
InChI=1S/C18H11F3N2O2S.H2O/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13;/h1-4,6-7H,5,8H2,(H,24,25);1H2
Molecular Formula | C18H11F3N2O2S |
Molecular Weight | 376.352 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
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 15:51:18 UTC 2023
by
admin
on
Fri Dec 15 15:51:18 UTC 2023
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Record UNII |
9Z74BD3QPP
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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 |
C72880
Created by
admin on Fri Dec 15 15:51:18 UTC 2023 , Edited by admin on Fri Dec 15 15:51:18 UTC 2023
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157838
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CHEMBL363387
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653599-32-7
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DB07063
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300000013041
Created by
admin on Fri Dec 15 15:51:18 UTC 2023 , Edited by admin on Fri Dec 15 15:51:18 UTC 2023
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C72815
Created by
admin on Fri Dec 15 15:51:18 UTC 2023 , Edited by admin on Fri Dec 15 15:51:18 UTC 2023
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MM-60
Created by
admin on Fri Dec 15 15:51:18 UTC 2023 , Edited by admin on Fri Dec 15 15:51:18 UTC 2023
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9Z74BD3QPP
Created by
admin on Fri Dec 15 15:51:18 UTC 2023 , Edited by admin on Fri Dec 15 15:51:18 UTC 2023
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DTXSID10215688
Created by
admin on Fri Dec 15 15:51:18 UTC 2023 , Edited by admin on Fri Dec 15 15:51:18 UTC 2023
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C500848
Created by
admin on Fri Dec 15 15:51:18 UTC 2023 , Edited by admin on Fri Dec 15 15:51:18 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |