Details
Stereochemistry | RACEMIC |
Molecular Formula | C17H16F6N2O.CH4O3S |
Molecular Weight | 474.418 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.[H][C@@]1(CCCCN1)[C@@H](O)C2=C3C=CC=C(C3=NC(=C2)C(F)(F)F)C(F)(F)F
InChI
InChIKey=GFKKBAFIZVIFAZ-YLCXCWDSSA-N
InChI=1S/C17H16F6N2O.CH4O3S/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11;1-5(2,3)4/h3-5,8,12,15,24,26H,1-2,6-7H2;1H3,(H,2,3,4)/t12-,15+;/m1./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 | C17H16F6N2O |
Molecular Weight | 378.3122 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
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 15:18:27 UTC 2023
by
admin
on
Fri Dec 15 15:18:27 UTC 2023
|
Record UNII |
642Y4F6L0K
|
Record Status |
Validated (UNII)
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Record Version |
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-
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DTXSID70213988
Created by
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71587223
Created by
admin on Fri Dec 15 15:18:27 UTC 2023 , Edited by admin on Fri Dec 15 15:18:27 UTC 2023
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64003-26-5
Created by
admin on Fri Dec 15 15:18:27 UTC 2023 , Edited by admin on Fri Dec 15 15:18:27 UTC 2023
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642Y4F6L0K
Created by
admin on Fri Dec 15 15:18:27 UTC 2023 , Edited by admin on Fri Dec 15 15:18:27 UTC 2023
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PRIMARY |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |