Details
Stereochemistry | ACHIRAL |
Molecular Formula | C16H14F3N3O5S2 |
Molecular Weight | 449.425 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=C(CSC2=NC3=C(N2)C(OS(O)(=O)=O)=CC=C3)N=CC=C1OCC(F)(F)F
InChI
InChIKey=KMFXPGJBUJZLEE-UHFFFAOYSA-N
InChI=1S/C16H14F3N3O5S2/c1-9-11(20-6-5-12(9)26-8-16(17,18)19)7-28-15-21-10-3-2-4-13(14(10)22-15)27-29(23,24)25/h2-6H,7-8H2,1H3,(H,21,22)(H,23,24,25)
Molecular Formula | C16H14F3N3O5S2 |
Molecular Weight | 449.425 |
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
Sat Dec 16 10:53:42 GMT 2023
by
admin
on
Sat Dec 16 10:53:42 GMT 2023
|
Record UNII |
XFR534C6MJ
|
Record Status |
Validated (UNII)
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Record Version |
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-
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1421609-89-3
Created by
admin on Sat Dec 16 10:53:42 GMT 2023 , Edited by admin on Sat Dec 16 10:53:42 GMT 2023
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XFR534C6MJ
Created by
admin on Sat Dec 16 10:53:42 GMT 2023 , Edited by admin on Sat Dec 16 10:53:42 GMT 2023
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91810688
Created by
admin on Sat Dec 16 10:53:42 GMT 2023 , Edited by admin on Sat Dec 16 10:53:42 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> METABOLITE |
MINOR
FECAL; PLASMA
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