Details
Stereochemistry | ACHIRAL |
Molecular Formula | C20H15F3N4O3.CH4O3S |
Molecular Weight | 512.459 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.[H][C@@]12CN(C[C@]1([H])[C@H]2N)C3=NC4=C(C=C3F)C(=O)C(=CN4C5=CC=C(F)C=C5F)C(O)=O
InChI
InChIKey=DYNZICQDCVYXFW-AHZSKCOESA-N
InChI=1S/C20H15F3N4O3.CH4O3S/c21-8-1-2-15(13(22)3-8)27-7-12(20(29)30)17(28)9-4-14(23)19(25-18(9)27)26-5-10-11(6-26)16(10)24;1-5(2,3)4/h1-4,7,10-11,16H,5-6,24H2,(H,29,30);1H3,(H,2,3,4)/t10-,11+,16+;
Molecular Formula | C20H15F3N4O3 |
Molecular Weight | 416.3533 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | CH4O3S |
Molecular Weight | 96.106 |
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 16:16:00 UTC 2023
by
admin
on
Fri Dec 15 16:16:00 UTC 2023
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Record UNII |
0P1LKO80WN
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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 |
C795
Created by
admin on Fri Dec 15 16:16:00 UTC 2023 , Edited by admin on Fri Dec 15 16:16:00 UTC 2023
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Code System | Code | Type | Description | ||
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C61996
Created by
admin on Fri Dec 15 16:16:00 UTC 2023 , Edited by admin on Fri Dec 15 16:16:00 UTC 2023
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PRIMARY | |||
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171335-83-4
Created by
admin on Fri Dec 15 16:16:00 UTC 2023 , Edited by admin on Fri Dec 15 16:16:00 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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0P1LKO80WN
Created by
admin on Fri Dec 15 16:16:00 UTC 2023 , Edited by admin on Fri Dec 15 16:16:00 UTC 2023
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PRIMARY | |||
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221177
Created by
admin on Fri Dec 15 16:16:00 UTC 2023 , Edited by admin on Fri Dec 15 16:16:00 UTC 2023
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PRIMARY | RxNorm | ||
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0P1LKO80WN
Created by
admin on Fri Dec 15 16:16:00 UTC 2023 , Edited by admin on Fri Dec 15 16:16:00 UTC 2023
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CHEMBL428
Created by
admin on Fri Dec 15 16:16:00 UTC 2023 , Edited by admin on Fri Dec 15 16:16:00 UTC 2023
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m11237
Created by
admin on Fri Dec 15 16:16:00 UTC 2023 , Edited by admin on Fri Dec 15 16:16:00 UTC 2023
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PRIMARY | Merck Index | ||
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77568
Created by
admin on Fri Dec 15 16:16:00 UTC 2023 , Edited by admin on Fri Dec 15 16:16:00 UTC 2023
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GG-61
Created by
admin on Fri Dec 15 16:16:00 UTC 2023 , Edited by admin on Fri Dec 15 16:16:00 UTC 2023
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DTXSID0045701
Created by
admin on Fri Dec 15 16:16:00 UTC 2023 , Edited by admin on Fri Dec 15 16:16:00 UTC 2023
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SUB15628MIG
Created by
admin on Fri Dec 15 16:16:00 UTC 2023 , Edited by admin on Fri Dec 15 16:16:00 UTC 2023
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147059-75-4
Created by
admin on Fri Dec 15 16:16:00 UTC 2023 , Edited by admin on Fri Dec 15 16:16:00 UTC 2023
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DBSALT000992
Created by
admin on Fri Dec 15 16:16:00 UTC 2023 , Edited by admin on Fri Dec 15 16:16:00 UTC 2023
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100000089513
Created by
admin on Fri Dec 15 16:16:00 UTC 2023 , Edited by admin on Fri Dec 15 16:16:00 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |