Details
| Stereochemistry | MIXED |
| Molecular Formula | C18H25N3O3 |
| Molecular Weight | 331.4094 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]12C[C@]1([H])N3C(=O)[C@@]([H])(NC(=N)[C@@]3([H])C2)C45CC6CC(O)(CC(O)(C6)C4)C5
InChI
InChIKey=IJVVVHQBNWXMNQ-FHKDIRIYSA-N
InChI=1S/C18H25N3O3/c19-14-12-2-10-1-11(10)21(12)15(22)13(20-14)16-3-9-4-17(23,6-16)8-18(24,5-9)7-16/h9-13,23-24H,1-8H2,(H2,19,20)/t9?,10-,11-,12+,13+,16?,17?,18?/m0/s1
| Molecular Formula | C18H25N3O3 |
| Molecular Weight | 331.4094 |
| Charge | 0 |
| Count |
|
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:17:44 UTC 2023
by
admin
on
Sat Dec 16 15:17:44 UTC 2023
|
| Record UNII |
XJS56A8GYF
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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XJS56A8GYF
Created by
admin on Sat Dec 16 15:17:45 UTC 2023 , Edited by admin on Sat Dec 16 15:17:45 UTC 2023
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118753505
Created by
admin on Sat Dec 16 15:17:45 UTC 2023 , Edited by admin on Sat Dec 16 15:17:45 UTC 2023
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1429782-93-3
Created by
admin on Sat Dec 16 15:17:45 UTC 2023 , Edited by admin on Sat Dec 16 15:17:45 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
In urine and feces, metabolites M1 and M13 coeluted and together represented 2.5% of the administered radioactivity
MINOR
FECAL; URINE
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PARENT -> METABOLITE |
MINOR
PLASMA
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