Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H33NO3 |
| Molecular Weight | 443.5772 |
| Optical Activity | ( + ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1(C)OC2=C(C=CC(O)=C2)[C@@H]([C@H]1C3=CC=CC=C3)C4=CC=C(OCCN5CCCC5)C=C4
InChI
InChIKey=PAIABUZDHNKOIL-WUFINQPMSA-N
InChI=1S/C29H33NO3/c1-29(2)28(22-8-4-3-5-9-22)27(25-15-12-23(31)20-26(25)33-29)21-10-13-24(14-11-21)32-19-18-30-16-6-7-17-30/h3-5,8-15,20,27-28,31H,6-7,16-19H2,1-2H3/t27-,28+/m0/s1
| Molecular Formula | C29H33NO3 |
| Molecular Weight | 443.5772 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 02:59:33 GMT 2023
by
admin
on
Sat Dec 16 02:59:33 GMT 2023
|
| Record UNII |
3J85KLQ756
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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3J85KLQ756
Created by
admin on Sat Dec 16 02:59:34 GMT 2023 , Edited by admin on Sat Dec 16 02:59:34 GMT 2023
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101670504
Created by
admin on Sat Dec 16 02:59:34 GMT 2023 , Edited by admin on Sat Dec 16 02:59:34 GMT 2023
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PRIMARY |
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RACEMATE -> ENANTIOMER |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PRODRUG -> METABOLITE ACTIVE |
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