Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H22F3N3O9S |
| Molecular Weight | 561.485 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=C(C[S@@+]([O-])C2=NC3=C(N2)C=CC(O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)=C3)N=CC=C1OCC(F)(F)F
InChI
InChIKey=ZQGMQHYNKOFQRX-RANKXQOWSA-N
InChI=1S/C22H22F3N3O9S/c1-9-13(26-5-4-14(9)35-8-22(23,24)25)7-38(34)21-27-11-3-2-10(6-12(11)28-21)36-20-17(31)15(29)16(30)18(37-20)19(32)33/h2-6,15-18,20,29-31H,7-8H2,1H3,(H,27,28)(H,32,33)/t15-,16-,17+,18-,20+,38+/m0/s1
| Molecular Formula | C22H22F3N3O9S |
| Molecular Weight | 561.485 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 5 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:00:03 GMT 2023
by
admin
on
Sat Dec 16 19:00:03 GMT 2023
|
| Record UNII |
R979044MOY
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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R979044MOY
Created by
admin on Sat Dec 16 19:00:03 GMT 2023 , Edited by admin on Sat Dec 16 19:00:03 GMT 2023
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PRIMARY | |||
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91810690
Created by
admin on Sat Dec 16 19:00:03 GMT 2023 , Edited by admin on Sat Dec 16 19:00:03 GMT 2023
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1421696-08-3
Created by
admin on Sat Dec 16 19:00:03 GMT 2023 , Edited by admin on Sat Dec 16 19:00:03 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
EM Subjects
MAJOR
PLASMA; URINE
|
