Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C16H15FN2O4.CH4O3S |
Molecular Weight | 414.405 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.C[C@H]1COC2=C(C(F)=CC3=C2N1C=C(C(O)=O)C3=O)C4(N)CC4
InChI
InChIKey=UDHGFPATQWQARM-FJXQXJEOSA-N
InChI=1S/C16H15FN2O4.CH4O3S/c1-7-6-23-14-11(16(18)2-3-16)10(17)4-8-12(14)19(7)5-9(13(8)20)15(21)22;1-5(2,3)4/h4-5,7H,2-3,6,18H2,1H3,(H,21,22);1H3,(H,2,3,4)/t7-;/m0./s1
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 |
Molecular Formula | C16H15FN2O4 |
Molecular Weight | 318.2997 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 18:46:02 UTC 2023
by
admin
on
Fri Dec 15 18:46:02 UTC 2023
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Record UNII |
2XI226J1HS
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Record Status |
Validated (UNII)
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Record Version |
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-
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SUB16450MIG
Created by
admin on Fri Dec 15 18:46:02 UTC 2023 , Edited by admin on Fri Dec 15 18:46:02 UTC 2023
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759831
Created by
admin on Fri Dec 15 18:46:02 UTC 2023 , Edited by admin on Fri Dec 15 18:46:02 UTC 2023
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6918232
Created by
admin on Fri Dec 15 18:46:02 UTC 2023 , Edited by admin on Fri Dec 15 18:46:02 UTC 2023
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163680-77-1
Created by
admin on Fri Dec 15 18:46:02 UTC 2023 , Edited by admin on Fri Dec 15 18:46:02 UTC 2023
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m8431
Created by
admin on Fri Dec 15 18:46:02 UTC 2023 , Edited by admin on Fri Dec 15 18:46:02 UTC 2023
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PRIMARY | Merck Index | ||
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DTXSID80167645
Created by
admin on Fri Dec 15 18:46:02 UTC 2023 , Edited by admin on Fri Dec 15 18:46:02 UTC 2023
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2XI226J1HS
Created by
admin on Fri Dec 15 18:46:02 UTC 2023 , Edited by admin on Fri Dec 15 18:46:02 UTC 2023
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DBSALT002069
Created by
admin on Fri Dec 15 18:46:02 UTC 2023 , Edited by admin on Fri Dec 15 18:46:02 UTC 2023
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100000086056
Created by
admin on Fri Dec 15 18:46:02 UTC 2023 , Edited by admin on Fri Dec 15 18:46:02 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 |
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