Details
| Stereochemistry | EPIMERIC |
| Molecular Formula | C31H36N2O3 |
| Molecular Weight | 484.6291 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC=C(C=C1CN[C@H]2C3CCN(CC3)[C@H]2C(C4=CC=CC=C4)C5=CC=CC=C5)C(C)C(O)=O
InChI
InChIKey=GAUSSIFKOWHLQB-YCIRJXQPSA-N
InChI=1S/C31H36N2O3/c1-21(31(34)35)25-13-14-27(36-2)26(19-25)20-32-29-24-15-17-33(18-16-24)30(29)28(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,19,21,24,28-30,32H,15-18,20H2,1-2H3,(H,34,35)/t21?,29-,30-/m0/s1
| Molecular Formula | C31H36N2O3 |
| Molecular Weight | 484.6291 |
| Charge | 0 |
| Count |
|
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:55:34 UTC 2023
by
admin
on
Sat Dec 16 15:55:34 UTC 2023
|
| Record UNII |
UY0M7J3M6Z
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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| Code System | Code | Type | Description | ||
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1817856-18-0
Created by
admin on Sat Dec 16 15:55:34 UTC 2023 , Edited by admin on Sat Dec 16 15:55:34 UTC 2023
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UY0M7J3M6Z
Created by
admin on Sat Dec 16 15:55:34 UTC 2023 , Edited by admin on Sat Dec 16 15:55:34 UTC 2023
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154572828
Created by
admin on Sat Dec 16 15:55:34 UTC 2023 , Edited by admin on Sat Dec 16 15:55:34 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> METABOLITE |
FECAL
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PARENT -> METABOLITE |
URINE
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