Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C24H33FO4 |
| Molecular Weight | 404.5148 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=C(F)C=CC(=C1)C2=C(\C=C\[C@H](O)C[C@H](O)CC(O)=O)C(C)(C)CC(C)(C)C2
InChI
InChIKey=ZZIWKZGLXPJEJV-VUOWKATKSA-N
InChI=1S/C24H33FO4/c1-15-10-16(6-9-21(15)25)19-13-23(2,3)14-24(4,5)20(19)8-7-17(26)11-18(27)12-22(28)29/h6-10,17-18,26-27H,11-14H2,1-5H3,(H,28,29)/b8-7+/t17-,18-/m0/s1
| Molecular Formula | C24H33FO4 |
| Molecular Weight | 404.5148 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 20:23:21 UTC 2023
by
admin
on
Sat Dec 16 20:23:21 UTC 2023
|
| Record UNII |
XW8UFD4YLA
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
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Systematic Name | English | ||
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Systematic Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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153042-95-6
Created by
admin on Sat Dec 16 20:23:21 UTC 2023 , Edited by admin on Sat Dec 16 20:23:21 UTC 2023
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PRIMARY | |||
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XW8UFD4YLA
Created by
admin on Sat Dec 16 20:23:21 UTC 2023 , Edited by admin on Sat Dec 16 20:23:21 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET -> INHIBITOR |
IC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PRODRUG -> METABOLITE ACTIVE |
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| Related Record | Type | Details | ||
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ACTIVE MOIETY |
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![Structure of rel-(3R,5S,6E)-7-[2-(4-Fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl]-3,5-dihydroxy-6-heptenoic acid](/img/17d516fd-ecfd-4b80-8429-f9bef26d3914.svg "Structure of rel-(3R,5S,6E)-7-[2-(4-Fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexen-1-yl]-3,5-dihydroxy-6-heptenoic acid")