Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C21H21F3O9S |
| Molecular Weight | 506.446 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)[C@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)C(F)(F)F
InChI
InChIKey=ARJFPVWOMJKCQD-DOZWFGMRSA-N
InChI=1S/C21H21F3O9S/c1-34(30,31)13-8-6-11(7-9-13)10-2-4-12(5-3-10)18(21(22,23)24)33-20-16(27)14(25)15(26)17(32-20)19(28)29/h2-9,14-18,20,25-27H,1H3,(H,28,29)/t14-,15-,16+,17-,18-,20-/m0/s1
| Molecular Formula | C21H21F3O9S |
| Molecular Weight | 506.446 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 16:07:46 GMT 2023
by
admin
on
Sat Dec 16 16:07:46 GMT 2023
|
| Record UNII |
J9R5BNL6KX
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Systematic Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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J9R5BNL6KX
Created by
admin on Sat Dec 16 16:07:46 GMT 2023 , Edited by admin on Sat Dec 16 16:07:46 GMT 2023
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1633728-67-2
Created by
admin on Sat Dec 16 16:07:46 GMT 2023 , Edited by admin on Sat Dec 16 16:07:46 GMT 2023
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156596516
Created by
admin on Sat Dec 16 16:07:46 GMT 2023 , Edited by admin on Sat Dec 16 16:07:46 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
URINE
|
