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
OC12CC3CC(O)(C1)CC(C3)(C2)[C@@H]4NC(=N)[C@H]5C[C@@H]6C[C@@H]6N5C4=O
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
Wed Apr 02 05:11:23 GMT 2025
by
admin
on
Wed Apr 02 05:11:23 GMT 2025
|
| Record UNII |
XJS56A8GYF
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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XJS56A8GYF
Created by
admin on Wed Apr 02 05:11:23 GMT 2025 , Edited by admin on Wed Apr 02 05:11:23 GMT 2025
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118753505
Created by
admin on Wed Apr 02 05:11:23 GMT 2025 , Edited by admin on Wed Apr 02 05:11:23 GMT 2025
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1429782-93-3
Created by
admin on Wed Apr 02 05:11:23 GMT 2025 , Edited by admin on Wed Apr 02 05:11:23 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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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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