Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C21H31NO8 |
| Molecular Weight | 425.4727 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 5 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CNCC(C1=CC=C(O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O)C=C1)C3(O)CCCCC3
InChI
InChIKey=UDNAJOOLWIWCAW-SQBZNDFJSA-N
InChI=1S/C21H31NO8/c1-22-11-14(21(28)9-3-2-4-10-21)12-5-7-13(8-6-12)29-20-17(25)15(23)16(24)18(30-20)19(26)27/h5-8,14-18,20,22-25,28H,2-4,9-11H2,1H3,(H,26,27)/t14?,15-,16-,17+,18-,20+/m0/s1
| Molecular Formula | C21H31NO8 |
| Molecular Weight | 425.4727 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 5 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:24:04 UTC 2023
by
admin
on
Sat Dec 16 08:24:04 UTC 2023
|
| Record UNII |
1H23L3816Q
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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1021933-99-2
Created by
admin on Sat Dec 16 08:24:04 UTC 2023 , Edited by admin on Sat Dec 16 08:24:04 UTC 2023
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1H23L3816Q
Created by
admin on Sat Dec 16 08:24:04 UTC 2023 , Edited by admin on Sat Dec 16 08:24:04 UTC 2023
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71316036
Created by
admin on Sat Dec 16 08:24:04 UTC 2023 , Edited by admin on Sat Dec 16 08:24:04 UTC 2023
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DTXSID501128826
Created by
admin on Sat Dec 16 08:24:04 UTC 2023 , Edited by admin on Sat Dec 16 08:24:04 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE INACTIVE |
Unit: percent of dose in urine
IN-VIVO
URINE
|
||
|
PARENT -> METABOLITE INACTIVE |
<5% (NODV and NODV-glucuronide combined);
Unit: percent of amount administered
IN-VIVO
URINE
|
