Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H17ClFNO5S |
| Molecular Weight | 449.88 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(=O)(=O)C1=C2N(CC3=CC=C(Cl)C=C3)C4=C(C(=O)C[C@@H]4CC(O)=O)C2=CC(F)=C1
InChI
InChIKey=LXXDCYUAFJJSGQ-GFCCVEGCSA-N
InChI=1S/C21H17ClFNO5S/c1-30(28,29)17-9-14(23)8-15-19-16(25)6-12(7-18(26)27)20(19)24(21(15)17)10-11-2-4-13(22)5-3-11/h2-5,8-9,12H,6-7,10H2,1H3,(H,26,27)/t12-/m1/s1
| Molecular Formula | C21H17ClFNO5S |
| Molecular Weight | 449.88 |
| 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
Sat Dec 16 15:57:43 GMT 2023
by
admin
on
Sat Dec 16 15:57:43 GMT 2023
|
| Record UNII |
LI7K2MH2IJ
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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| Code System | Code | Type | Description | ||
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11385386
Created by
admin on Sat Dec 16 15:57:44 GMT 2023 , Edited by admin on Sat Dec 16 15:57:44 GMT 2023
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PRIMARY | |||
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LI7K2MH2IJ
Created by
admin on Sat Dec 16 15:57:44 GMT 2023 , Edited by admin on Sat Dec 16 15:57:44 GMT 2023
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571170-95-1
Created by
admin on Sat Dec 16 15:57:44 GMT 2023 , Edited by admin on Sat Dec 16 15:57:44 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
FECAL
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||
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PARENT -> METABOLITE |
MINOR
URINE
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